---
_id: '62790'
abstract:
- lang: eng
  text: <jats:title>Abstract</jats:title><jats:p>We present an efficient model for
    the simulation of solid to solid phase‐transformations in polycrystalline materials.
    As a basis, we implement a scalar‐valued Gibbs‐energy‐barrier‐based phase‐transformation
    model making use of statistical physics. In this work, we particularly adopt the
    model for the simulation of phase‐transformations between an austenitic parent
    phase and a martensitic tension and compression phase. The incorporation of plasticity
    phenomena is established by enhancing the Helmholtz free energy functions of the
    material phases considered, where the plastic driving forces acting in each phase
    are derived from the overall free energy potential. The coupled model is embedded
    into a micro‐sphere formulation in order to simulate three‐dimensional boundary
    value problems—a technique well‐established in the context of computational inelasticity
    at small strains. It is shown that the model is capable of reflecting experimentally
    observed behaviour. (© 2011 Wiley‐VCH Verlag GmbH &amp; Co. KGaA, Weinheim)</jats:p>
author:
- first_name: Richard
  full_name: Ostwald, Richard
  id: '106876'
  last_name: Ostwald
  orcid: 0000-0003-2147-8444
- first_name: Thorsten
  full_name: Bartel, Thorsten
  last_name: Bartel
- first_name: Andreas
  full_name: Menzel, Andreas
  last_name: Menzel
citation:
  ama: Ostwald R, Bartel T, Menzel A. Interaction of phase‐transformations and plasticity
    – a multi‐phase micro‐sphere approach. <i>PAMM</i>. 2011;11(1):417-418. doi:<a
    href="https://doi.org/10.1002/pamm.201110200">10.1002/pamm.201110200</a>
  apa: Ostwald, R., Bartel, T., &#38; Menzel, A. (2011). Interaction of phase‐transformations
    and plasticity – a multi‐phase micro‐sphere approach. <i>PAMM</i>, <i>11</i>(1),
    417–418. <a href="https://doi.org/10.1002/pamm.201110200">https://doi.org/10.1002/pamm.201110200</a>
  bibtex: '@article{Ostwald_Bartel_Menzel_2011, title={Interaction of phase‐transformations
    and plasticity – a multi‐phase micro‐sphere approach}, volume={11}, DOI={<a href="https://doi.org/10.1002/pamm.201110200">10.1002/pamm.201110200</a>},
    number={1}, journal={PAMM}, publisher={Wiley}, author={Ostwald, Richard and Bartel,
    Thorsten and Menzel, Andreas}, year={2011}, pages={417–418} }'
  chicago: 'Ostwald, Richard, Thorsten Bartel, and Andreas Menzel. “Interaction of
    Phase‐transformations and Plasticity – a Multi‐phase Micro‐sphere Approach.” <i>PAMM</i>
    11, no. 1 (2011): 417–18. <a href="https://doi.org/10.1002/pamm.201110200">https://doi.org/10.1002/pamm.201110200</a>.'
  ieee: 'R. Ostwald, T. Bartel, and A. Menzel, “Interaction of phase‐transformations
    and plasticity – a multi‐phase micro‐sphere approach,” <i>PAMM</i>, vol. 11, no.
    1, pp. 417–418, 2011, doi: <a href="https://doi.org/10.1002/pamm.201110200">10.1002/pamm.201110200</a>.'
  mla: Ostwald, Richard, et al. “Interaction of Phase‐transformations and Plasticity
    – a Multi‐phase Micro‐sphere Approach.” <i>PAMM</i>, vol. 11, no. 1, Wiley, 2011,
    pp. 417–18, doi:<a href="https://doi.org/10.1002/pamm.201110200">10.1002/pamm.201110200</a>.
  short: R. Ostwald, T. Bartel, A. Menzel, PAMM 11 (2011) 417–418.
date_created: 2025-12-03T13:20:18Z
date_updated: 2025-12-03T13:20:59Z
department:
- _id: '952'
- _id: '321'
doi: 10.1002/pamm.201110200
intvolume: '        11'
issue: '1'
language:
- iso: eng
page: 417-418
publication: PAMM
publication_identifier:
  issn:
  - 1617-7061
  - 1617-7061
publication_status: published
publisher: Wiley
quality_controlled: '1'
status: public
title: Interaction of phase‐transformations and plasticity – a multi‐phase micro‐sphere
  approach
type: journal_article
user_id: '85414'
volume: 11
year: '2011'
...
---
_id: '62789'
author:
- first_name: D.
  full_name: Biermann, D.
  last_name: Biermann
- first_name: A.
  full_name: Menzel, A.
  last_name: Menzel
- first_name: T.
  full_name: Bartel, T.
  last_name: Bartel
- first_name: F.
  full_name: Höhne, F.
  last_name: Höhne
- first_name: R.
  full_name: Holtermann, R.
  last_name: Holtermann
- first_name: Richard
  full_name: Ostwald, Richard
  id: '106876'
  last_name: Ostwald
  orcid: 0000-0003-2147-8444
- first_name: B.
  full_name: Sieben, B.
  last_name: Sieben
- first_name: M.
  full_name: Tiffe, M.
  last_name: Tiffe
- first_name: A.
  full_name: Zabel, A.
  last_name: Zabel
citation:
  ama: Biermann D, Menzel A, Bartel T, et al. Experimental and Computational Investigation
    of Machining Processes for Functionally Graded Materials. <i>Procedia Engineering</i>.
    2011;19:22-27. doi:<a href="https://doi.org/10.1016/j.proeng.2011.11.074">10.1016/j.proeng.2011.11.074</a>
  apa: Biermann, D., Menzel, A., Bartel, T., Höhne, F., Holtermann, R., Ostwald, R.,
    Sieben, B., Tiffe, M., &#38; Zabel, A. (2011). Experimental and Computational
    Investigation of Machining Processes for Functionally Graded Materials. <i>Procedia
    Engineering</i>, <i>19</i>, 22–27. <a href="https://doi.org/10.1016/j.proeng.2011.11.074">https://doi.org/10.1016/j.proeng.2011.11.074</a>
  bibtex: '@article{Biermann_Menzel_Bartel_Höhne_Holtermann_Ostwald_Sieben_Tiffe_Zabel_2011,
    title={Experimental and Computational Investigation of Machining Processes for
    Functionally Graded Materials}, volume={19}, DOI={<a href="https://doi.org/10.1016/j.proeng.2011.11.074">10.1016/j.proeng.2011.11.074</a>},
    journal={Procedia Engineering}, publisher={Elsevier BV}, author={Biermann, D.
    and Menzel, A. and Bartel, T. and Höhne, F. and Holtermann, R. and Ostwald, Richard
    and Sieben, B. and Tiffe, M. and Zabel, A.}, year={2011}, pages={22–27} }'
  chicago: 'Biermann, D., A. Menzel, T. Bartel, F. Höhne, R. Holtermann, Richard Ostwald,
    B. Sieben, M. Tiffe, and A. Zabel. “Experimental and Computational Investigation
    of Machining Processes for Functionally Graded Materials.” <i>Procedia Engineering</i>
    19 (2011): 22–27. <a href="https://doi.org/10.1016/j.proeng.2011.11.074">https://doi.org/10.1016/j.proeng.2011.11.074</a>.'
  ieee: 'D. Biermann <i>et al.</i>, “Experimental and Computational Investigation
    of Machining Processes for Functionally Graded Materials,” <i>Procedia Engineering</i>,
    vol. 19, pp. 22–27, 2011, doi: <a href="https://doi.org/10.1016/j.proeng.2011.11.074">10.1016/j.proeng.2011.11.074</a>.'
  mla: Biermann, D., et al. “Experimental and Computational Investigation of Machining
    Processes for Functionally Graded Materials.” <i>Procedia Engineering</i>, vol.
    19, Elsevier BV, 2011, pp. 22–27, doi:<a href="https://doi.org/10.1016/j.proeng.2011.11.074">10.1016/j.proeng.2011.11.074</a>.
  short: D. Biermann, A. Menzel, T. Bartel, F. Höhne, R. Holtermann, R. Ostwald, B.
    Sieben, M. Tiffe, A. Zabel, Procedia Engineering 19 (2011) 22–27.
date_created: 2025-12-03T13:19:13Z
date_updated: 2025-12-03T13:19:57Z
department:
- _id: '952'
- _id: '321'
doi: 10.1016/j.proeng.2011.11.074
intvolume: '        19'
language:
- iso: eng
page: 22-27
publication: Procedia Engineering
publication_identifier:
  issn:
  - 1877-7058
publication_status: published
publisher: Elsevier BV
quality_controlled: '1'
status: public
title: Experimental and Computational Investigation of Machining Processes for Functionally
  Graded Materials
type: journal_article
user_id: '85414'
volume: 19
year: '2011'
...
---
_id: '13565'
author:
- first_name: Stefan
  full_name: Müllegger, Stefan
  last_name: Müllegger
- first_name: Wolfgang
  full_name: Schöfberger, Wolfgang
  last_name: Schöfberger
- first_name: Mohammad
  full_name: Rashidi, Mohammad
  last_name: Rashidi
- first_name: Thomas
  full_name: Lengauer, Thomas
  last_name: Lengauer
- first_name: Florian
  full_name: Klappenberger, Florian
  last_name: Klappenberger
- first_name: Katharina
  full_name: Diller, Katharina
  last_name: Diller
- first_name: Kamuran
  full_name: Kara, Kamuran
  last_name: Kara
- first_name: Johannes V.
  full_name: Barth, Johannes V.
  last_name: Barth
- first_name: Eva
  full_name: Rauls, Eva
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Reinhold
  full_name: Koch, Reinhold
  last_name: Koch
citation:
  ama: Müllegger S, Schöfberger W, Rashidi M, et al. Preserving Charge and Oxidation
    State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model System. <i>ACS
    Nano</i>. 2011;5(8):6480-6486. doi:<a href="https://doi.org/10.1021/nn201708c">10.1021/nn201708c</a>
  apa: Müllegger, S., Schöfberger, W., Rashidi, M., Lengauer, T., Klappenberger, F.,
    Diller, K., Kara, K., Barth, J. V., Rauls, E., Schmidt, W. G., &#38; Koch, R.
    (2011). Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized
    Nanocrystal Model System. <i>ACS Nano</i>, <i>5</i>(8), 6480–6486. <a href="https://doi.org/10.1021/nn201708c">https://doi.org/10.1021/nn201708c</a>
  bibtex: '@article{Müllegger_Schöfberger_Rashidi_Lengauer_Klappenberger_Diller_Kara_Barth_Rauls_Schmidt_et
    al._2011, title={Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized
    Nanocrystal Model System}, volume={5}, DOI={<a href="https://doi.org/10.1021/nn201708c">10.1021/nn201708c</a>},
    number={8}, journal={ACS Nano}, author={Müllegger, Stefan and Schöfberger, Wolfgang
    and Rashidi, Mohammad and Lengauer, Thomas and Klappenberger, Florian and Diller,
    Katharina and Kara, Kamuran and Barth, Johannes V. and Rauls, Eva and Schmidt,
    Wolf Gero and et al.}, year={2011}, pages={6480–6486} }'
  chicago: 'Müllegger, Stefan, Wolfgang Schöfberger, Mohammad Rashidi, Thomas Lengauer,
    Florian Klappenberger, Katharina Diller, Kamuran Kara, et al. “Preserving Charge
    and Oxidation State of Au(III) Ions in an Agent-Functionalized Nanocrystal Model
    System.” <i>ACS Nano</i> 5, no. 8 (2011): 6480–86. <a href="https://doi.org/10.1021/nn201708c">https://doi.org/10.1021/nn201708c</a>.'
  ieee: 'S. Müllegger <i>et al.</i>, “Preserving Charge and Oxidation State of Au(III)
    Ions in an Agent-Functionalized Nanocrystal Model System,” <i>ACS Nano</i>, vol.
    5, no. 8, pp. 6480–6486, 2011, doi: <a href="https://doi.org/10.1021/nn201708c">10.1021/nn201708c</a>.'
  mla: Müllegger, Stefan, et al. “Preserving Charge and Oxidation State of Au(III)
    Ions in an Agent-Functionalized Nanocrystal Model System.” <i>ACS Nano</i>, vol.
    5, no. 8, 2011, pp. 6480–86, doi:<a href="https://doi.org/10.1021/nn201708c">10.1021/nn201708c</a>.
  short: S. Müllegger, W. Schöfberger, M. Rashidi, T. Lengauer, F. Klappenberger,
    K. Diller, K. Kara, J.V. Barth, E. Rauls, W.G. Schmidt, R. Koch, ACS Nano 5 (2011)
    6480–6486.
date_created: 2019-10-01T09:05:54Z
date_updated: 2025-12-05T10:42:34Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/nn201708c
intvolume: '         5'
issue: '8'
language:
- iso: eng
page: 6480-6486
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: ACS Nano
publication_identifier:
  issn:
  - 1936-0851
  - 1936-086X
publication_status: published
status: public
title: Preserving Charge and Oxidation State of Au(III) Ions in an Agent-Functionalized
  Nanocrystal Model System
type: journal_article
user_id: '16199'
volume: 5
year: '2011'
...
---
_id: '13566'
author:
- first_name: Felix
  full_name: Hoehne, Felix
  last_name: Hoehne
- first_name: Jinming
  full_name: Lu, Jinming
  last_name: Lu
- first_name: Andre R.
  full_name: Stegner, Andre R.
  last_name: Stegner
- first_name: Martin
  full_name: Stutzmann, Martin
  last_name: Stutzmann
- first_name: Martin S.
  full_name: Brandt, Martin S.
  last_name: Brandt
- first_name: Martin
  full_name: Rohrmüller, Martin
  last_name: Rohrmüller
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: 'Hoehne F, Lu J, Stegner AR, et al. Electrically Detected Electron-Spin-Echo
    Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface
    Structures. <i>Physical Review Letters</i>. 2011;106(19). doi:<a href="https://doi.org/10.1103/physrevlett.106.196101">10.1103/physrevlett.106.196101</a>'
  apa: 'Hoehne, F., Lu, J., Stegner, A. R., Stutzmann, M., Brandt, M. S., Rohrmüller,
    M., Schmidt, W. G., &#38; Gerstmann, U. (2011). Electrically Detected Electron-Spin-Echo
    Envelope Modulation: A Highly Sensitive Technique for Resolving Complex Interface
    Structures. <i>Physical Review Letters</i>, <i>106</i>(19). <a href="https://doi.org/10.1103/physrevlett.106.196101">https://doi.org/10.1103/physrevlett.106.196101</a>'
  bibtex: '@article{Hoehne_Lu_Stegner_Stutzmann_Brandt_Rohrmüller_Schmidt_Gerstmann_2011,
    title={Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly
    Sensitive Technique for Resolving Complex Interface Structures}, volume={106},
    DOI={<a href="https://doi.org/10.1103/physrevlett.106.196101">10.1103/physrevlett.106.196101</a>},
    number={19}, journal={Physical Review Letters}, author={Hoehne, Felix and Lu,
    Jinming and Stegner, Andre R. and Stutzmann, Martin and Brandt, Martin S. and
    Rohrmüller, Martin and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2011} }'
  chicago: 'Hoehne, Felix, Jinming Lu, Andre R. Stegner, Martin Stutzmann, Martin
    S. Brandt, Martin Rohrmüller, Wolf Gero Schmidt, and Uwe Gerstmann. “Electrically
    Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive Technique
    for Resolving Complex Interface Structures.” <i>Physical Review Letters</i> 106,
    no. 19 (2011). <a href="https://doi.org/10.1103/physrevlett.106.196101">https://doi.org/10.1103/physrevlett.106.196101</a>.'
  ieee: 'F. Hoehne <i>et al.</i>, “Electrically Detected Electron-Spin-Echo Envelope
    Modulation: A Highly Sensitive Technique for Resolving Complex Interface Structures,”
    <i>Physical Review Letters</i>, vol. 106, no. 19, 2011, doi: <a href="https://doi.org/10.1103/physrevlett.106.196101">10.1103/physrevlett.106.196101</a>.'
  mla: 'Hoehne, Felix, et al. “Electrically Detected Electron-Spin-Echo Envelope Modulation:
    A Highly Sensitive Technique for Resolving Complex Interface Structures.” <i>Physical
    Review Letters</i>, vol. 106, no. 19, 2011, doi:<a href="https://doi.org/10.1103/physrevlett.106.196101">10.1103/physrevlett.106.196101</a>.'
  short: F. Hoehne, J. Lu, A.R. Stegner, M. Stutzmann, M.S. Brandt, M. Rohrmüller,
    W.G. Schmidt, U. Gerstmann, Physical Review Letters 106 (2011).
date_created: 2019-10-01T09:07:32Z
date_updated: 2025-12-05T10:42:11Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
doi: 10.1103/physrevlett.106.196101
intvolume: '       106'
issue: '19'
language:
- iso: eng
publication: Physical Review Letters
publication_identifier:
  issn:
  - 0031-9007
  - 1079-7114
publication_status: published
status: public
title: 'Electrically Detected Electron-Spin-Echo Envelope Modulation: A Highly Sensitive
  Technique for Resolving Complex Interface Structures'
type: journal_article
user_id: '16199'
volume: 106
year: '2011'
...
---
_id: '13568'
author:
- first_name: C.
  full_name: Mietze, C.
  last_name: Mietze
- first_name: M.
  full_name: Landmann, M.
  last_name: Landmann
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: H.
  full_name: Machhadani, H.
  last_name: Machhadani
- first_name: S.
  full_name: Sakr, S.
  last_name: Sakr
- first_name: M.
  full_name: Tchernycheva, M.
  last_name: Tchernycheva
- first_name: F. H.
  full_name: Julien, F. H.
  last_name: Julien
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: K.
  full_name: Lischka, K.
  last_name: Lischka
- first_name: Donat Josef
  full_name: As, Donat Josef
  id: '14'
  last_name: As
  orcid: 0000-0003-1121-3565
citation:
  ama: Mietze C, Landmann M, Rauls E, et al. Band offsets in cubic GaN/AlN superlattices.
    <i>Physical Review B</i>. 2011;83(19). doi:<a href="https://doi.org/10.1103/physrevb.83.195301">10.1103/physrevb.83.195301</a>
  apa: Mietze, C., Landmann, M., Rauls, E., Machhadani, H., Sakr, S., Tchernycheva,
    M., Julien, F. H., Schmidt, W. G., Lischka, K., &#38; As, D. J. (2011). Band offsets
    in cubic GaN/AlN superlattices. <i>Physical Review B</i>, <i>83</i>(19). <a href="https://doi.org/10.1103/physrevb.83.195301">https://doi.org/10.1103/physrevb.83.195301</a>
  bibtex: '@article{Mietze_Landmann_Rauls_Machhadani_Sakr_Tchernycheva_Julien_Schmidt_Lischka_As_2011,
    title={Band offsets in cubic GaN/AlN superlattices}, volume={83}, DOI={<a href="https://doi.org/10.1103/physrevb.83.195301">10.1103/physrevb.83.195301</a>},
    number={19}, journal={Physical Review B}, author={Mietze, C. and Landmann, M.
    and Rauls, E. and Machhadani, H. and Sakr, S. and Tchernycheva, M. and Julien,
    F. H. and Schmidt, Wolf Gero and Lischka, K. and As, Donat Josef}, year={2011}
    }'
  chicago: Mietze, C., M. Landmann, E. Rauls, H. Machhadani, S. Sakr, M. Tchernycheva,
    F. H. Julien, Wolf Gero Schmidt, K. Lischka, and Donat Josef As. “Band Offsets
    in Cubic GaN/AlN Superlattices.” <i>Physical Review B</i> 83, no. 19 (2011). <a
    href="https://doi.org/10.1103/physrevb.83.195301">https://doi.org/10.1103/physrevb.83.195301</a>.
  ieee: 'C. Mietze <i>et al.</i>, “Band offsets in cubic GaN/AlN superlattices,” <i>Physical
    Review B</i>, vol. 83, no. 19, 2011, doi: <a href="https://doi.org/10.1103/physrevb.83.195301">10.1103/physrevb.83.195301</a>.'
  mla: Mietze, C., et al. “Band Offsets in Cubic GaN/AlN Superlattices.” <i>Physical
    Review B</i>, vol. 83, no. 19, 2011, doi:<a href="https://doi.org/10.1103/physrevb.83.195301">10.1103/physrevb.83.195301</a>.
  short: C. Mietze, M. Landmann, E. Rauls, H. Machhadani, S. Sakr, M. Tchernycheva,
    F.H. Julien, W.G. Schmidt, K. Lischka, D.J. As, Physical Review B 83 (2011).
date_created: 2019-10-01T09:11:23Z
date_updated: 2025-12-05T10:41:18Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '284'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.83.195301
intvolume: '        83'
issue: '19'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Band offsets in cubic GaN/AlN superlattices
type: journal_article
user_id: '16199'
volume: 83
year: '2011'
...
---
_id: '13570'
author:
- first_name: S.
  full_name: Müllegger, S.
  last_name: Müllegger
- first_name: M.
  full_name: Rashidi, M.
  last_name: Rashidi
- first_name: T.
  full_name: Lengauer, T.
  last_name: Lengauer
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: G.
  full_name: Knör, G.
  last_name: Knör
- first_name: W.
  full_name: Schöfberger, W.
  last_name: Schöfberger
- first_name: R.
  full_name: Koch, R.
  last_name: Koch
citation:
  ama: Müllegger S, Rashidi M, Lengauer T, et al. Asymmetric saddling of single porphyrin
    molecules on Au(111). <i>Physical Review B</i>. 2011;83(16). doi:<a href="https://doi.org/10.1103/physrevb.83.165416">10.1103/physrevb.83.165416</a>
  apa: Müllegger, S., Rashidi, M., Lengauer, T., Rauls, E., Schmidt, W. G., Knör,
    G., Schöfberger, W., &#38; Koch, R. (2011). Asymmetric saddling of single porphyrin
    molecules on Au(111). <i>Physical Review B</i>, <i>83</i>(16). <a href="https://doi.org/10.1103/physrevb.83.165416">https://doi.org/10.1103/physrevb.83.165416</a>
  bibtex: '@article{Müllegger_Rashidi_Lengauer_Rauls_Schmidt_Knör_Schöfberger_Koch_2011,
    title={Asymmetric saddling of single porphyrin molecules on Au(111)}, volume={83},
    DOI={<a href="https://doi.org/10.1103/physrevb.83.165416">10.1103/physrevb.83.165416</a>},
    number={16}, journal={Physical Review B}, author={Müllegger, S. and Rashidi, M.
    and Lengauer, T. and Rauls, E. and Schmidt, Wolf Gero and Knör, G. and Schöfberger,
    W. and Koch, R.}, year={2011} }'
  chicago: Müllegger, S., M. Rashidi, T. Lengauer, E. Rauls, Wolf Gero Schmidt, G.
    Knör, W. Schöfberger, and R. Koch. “Asymmetric Saddling of Single Porphyrin Molecules
    on Au(111).” <i>Physical Review B</i> 83, no. 16 (2011). <a href="https://doi.org/10.1103/physrevb.83.165416">https://doi.org/10.1103/physrevb.83.165416</a>.
  ieee: 'S. Müllegger <i>et al.</i>, “Asymmetric saddling of single porphyrin molecules
    on Au(111),” <i>Physical Review B</i>, vol. 83, no. 16, 2011, doi: <a href="https://doi.org/10.1103/physrevb.83.165416">10.1103/physrevb.83.165416</a>.'
  mla: Müllegger, S., et al. “Asymmetric Saddling of Single Porphyrin Molecules on
    Au(111).” <i>Physical Review B</i>, vol. 83, no. 16, 2011, doi:<a href="https://doi.org/10.1103/physrevb.83.165416">10.1103/physrevb.83.165416</a>.
  short: S. Müllegger, M. Rashidi, T. Lengauer, E. Rauls, W.G. Schmidt, G. Knör, W.
    Schöfberger, R. Koch, Physical Review B 83 (2011).
date_created: 2019-10-01T09:15:39Z
date_updated: 2025-12-05T10:40:33Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.83.165416
intvolume: '        83'
issue: '16'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Asymmetric saddling of single porphyrin molecules on Au(111)
type: journal_article
user_id: '16199'
volume: 83
year: '2011'
...
---
_id: '13567'
author:
- first_name: A.
  full_name: Konopka, A.
  last_name: Konopka
- first_name: S.
  full_name: Greulich-Weber, S.
  last_name: Greulich-Weber
- first_name: V.
  full_name: Dierolf, V.
  last_name: Dierolf
- first_name: H.X.
  full_name: Jiang, H.X.
  last_name: Jiang
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Konopka A, Greulich-Weber S, Dierolf V, et al. Microscopic structure and energy
    transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors.
    <i>Optical Materials</i>. 2011;33:1041-1044. doi:<a href="https://doi.org/10.1016/j.optmat.2010.12.005">10.1016/j.optmat.2010.12.005</a>
  apa: Konopka, A., Greulich-Weber, S., Dierolf, V., Jiang, H. X., Gerstmann, U.,
    Rauls, E., Sanna, S., &#38; Schmidt, W. G. (2011). Microscopic structure and energy
    transfer of vacancy-related defect pairs with Erbium in wide-gap semiconductors.
    <i>Optical Materials</i>, <i>33</i>, 1041–1044. <a href="https://doi.org/10.1016/j.optmat.2010.12.005">https://doi.org/10.1016/j.optmat.2010.12.005</a>
  bibtex: '@article{Konopka_Greulich-Weber_Dierolf_Jiang_Gerstmann_Rauls_Sanna_Schmidt_2011,
    title={Microscopic structure and energy transfer of vacancy-related defect pairs
    with Erbium in wide-gap semiconductors}, volume={33}, DOI={<a href="https://doi.org/10.1016/j.optmat.2010.12.005">10.1016/j.optmat.2010.12.005</a>},
    journal={Optical Materials}, author={Konopka, A. and Greulich-Weber, S. and Dierolf,
    V. and Jiang, H.X. and Gerstmann, Uwe and Rauls, E. and Sanna, S. and Schmidt,
    Wolf Gero}, year={2011}, pages={1041–1044} }'
  chicago: 'Konopka, A., S. Greulich-Weber, V. Dierolf, H.X. Jiang, Uwe Gerstmann,
    E. Rauls, S. Sanna, and Wolf Gero Schmidt. “Microscopic Structure and Energy Transfer
    of Vacancy-Related Defect Pairs with Erbium in Wide-Gap Semiconductors.” <i>Optical
    Materials</i> 33 (2011): 1041–44. <a href="https://doi.org/10.1016/j.optmat.2010.12.005">https://doi.org/10.1016/j.optmat.2010.12.005</a>.'
  ieee: 'A. Konopka <i>et al.</i>, “Microscopic structure and energy transfer of vacancy-related
    defect pairs with Erbium in wide-gap semiconductors,” <i>Optical Materials</i>,
    vol. 33, pp. 1041–1044, 2011, doi: <a href="https://doi.org/10.1016/j.optmat.2010.12.005">10.1016/j.optmat.2010.12.005</a>.'
  mla: Konopka, A., et al. “Microscopic Structure and Energy Transfer of Vacancy-Related
    Defect Pairs with Erbium in Wide-Gap Semiconductors.” <i>Optical Materials</i>,
    vol. 33, 2011, pp. 1041–44, doi:<a href="https://doi.org/10.1016/j.optmat.2010.12.005">10.1016/j.optmat.2010.12.005</a>.
  short: A. Konopka, S. Greulich-Weber, V. Dierolf, H.X. Jiang, U. Gerstmann, E. Rauls,
    S. Sanna, W.G. Schmidt, Optical Materials 33 (2011) 1041–1044.
date_created: 2019-10-01T09:09:42Z
date_updated: 2025-12-05T10:41:44Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
doi: 10.1016/j.optmat.2010.12.005
intvolume: '        33'
language:
- iso: eng
page: 1041-1044
publication: Optical Materials
publication_identifier:
  issn:
  - 0925-3467
publication_status: published
status: public
title: Microscopic structure and energy transfer of vacancy-related defect pairs with
  Erbium in wide-gap semiconductors
type: journal_article
user_id: '16199'
volume: 33
year: '2011'
...
---
_id: '13571'
author:
- first_name: C.
  full_name: Thierfelder, C.
  last_name: Thierfelder
- first_name: M.
  full_name: Witte, M.
  last_name: Witte
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Thierfelder C, Witte M, Blankenburg S, Rauls E, Schmidt WG. Methane adsorption
    on graphene from first principles including dispersion interaction. <i>Surface
    Science</i>. 2011;605:746-749. doi:<a href="https://doi.org/10.1016/j.susc.2011.01.012">10.1016/j.susc.2011.01.012</a>
  apa: Thierfelder, C., Witte, M., Blankenburg, S., Rauls, E., &#38; Schmidt, W. G.
    (2011). Methane adsorption on graphene from first principles including dispersion
    interaction. <i>Surface Science</i>, <i>605</i>, 746–749. <a href="https://doi.org/10.1016/j.susc.2011.01.012">https://doi.org/10.1016/j.susc.2011.01.012</a>
  bibtex: '@article{Thierfelder_Witte_Blankenburg_Rauls_Schmidt_2011, title={Methane
    adsorption on graphene from first principles including dispersion interaction},
    volume={605}, DOI={<a href="https://doi.org/10.1016/j.susc.2011.01.012">10.1016/j.susc.2011.01.012</a>},
    journal={Surface Science}, author={Thierfelder, C. and Witte, M. and Blankenburg,
    S. and Rauls, E. and Schmidt, Wolf Gero}, year={2011}, pages={746–749} }'
  chicago: 'Thierfelder, C., M. Witte, S. Blankenburg, E. Rauls, and Wolf Gero Schmidt.
    “Methane Adsorption on Graphene from First Principles Including Dispersion Interaction.”
    <i>Surface Science</i> 605 (2011): 746–49. <a href="https://doi.org/10.1016/j.susc.2011.01.012">https://doi.org/10.1016/j.susc.2011.01.012</a>.'
  ieee: 'C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, and W. G. Schmidt, “Methane
    adsorption on graphene from first principles including dispersion interaction,”
    <i>Surface Science</i>, vol. 605, pp. 746–749, 2011, doi: <a href="https://doi.org/10.1016/j.susc.2011.01.012">10.1016/j.susc.2011.01.012</a>.'
  mla: Thierfelder, C., et al. “Methane Adsorption on Graphene from First Principles
    Including Dispersion Interaction.” <i>Surface Science</i>, vol. 605, 2011, pp.
    746–49, doi:<a href="https://doi.org/10.1016/j.susc.2011.01.012">10.1016/j.susc.2011.01.012</a>.
  short: C. Thierfelder, M. Witte, S. Blankenburg, E. Rauls, W.G. Schmidt, Surface
    Science 605 (2011) 746–749.
date_created: 2019-10-01T09:16:56Z
date_updated: 2025-12-05T10:40:12Z
department:
- _id: '15'
- _id: '295'
- _id: '170'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.susc.2011.01.012
intvolume: '       605'
language:
- iso: eng
page: 746-749
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Surface Science
publication_identifier:
  issn:
  - 0039-6028
publication_status: published
status: public
title: Methane adsorption on graphene from first principles including dispersion interaction
type: journal_article
user_id: '16199'
volume: 605
year: '2011'
...
---
_id: '13569'
author:
- first_name: P.P.
  full_name: Favero, P.P.
  last_name: Favero
- first_name: A.C.
  full_name: Ferraz, A.C.
  last_name: Ferraz
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: R.
  full_name: Miotto, R.
  last_name: Miotto
citation:
  ama: Favero PP, Ferraz AC, Schmidt WG, Miotto R. Driving forces for the adsorption
    of cyclopentene on InP(001). <i>Surface Science</i>. 2011;605:824-830. doi:<a
    href="https://doi.org/10.1016/j.susc.2011.01.027">10.1016/j.susc.2011.01.027</a>
  apa: Favero, P. P., Ferraz, A. C., Schmidt, W. G., &#38; Miotto, R. (2011). Driving
    forces for the adsorption of cyclopentene on InP(001). <i>Surface Science</i>,
    <i>605</i>, 824–830. <a href="https://doi.org/10.1016/j.susc.2011.01.027">https://doi.org/10.1016/j.susc.2011.01.027</a>
  bibtex: '@article{Favero_Ferraz_Schmidt_Miotto_2011, title={Driving forces for the
    adsorption of cyclopentene on InP(001)}, volume={605}, DOI={<a href="https://doi.org/10.1016/j.susc.2011.01.027">10.1016/j.susc.2011.01.027</a>},
    journal={Surface Science}, author={Favero, P.P. and Ferraz, A.C. and Schmidt,
    Wolf Gero and Miotto, R.}, year={2011}, pages={824–830} }'
  chicago: 'Favero, P.P., A.C. Ferraz, Wolf Gero Schmidt, and R. Miotto. “Driving
    Forces for the Adsorption of Cyclopentene on InP(001).” <i>Surface Science</i>
    605 (2011): 824–30. <a href="https://doi.org/10.1016/j.susc.2011.01.027">https://doi.org/10.1016/j.susc.2011.01.027</a>.'
  ieee: 'P. P. Favero, A. C. Ferraz, W. G. Schmidt, and R. Miotto, “Driving forces
    for the adsorption of cyclopentene on InP(001),” <i>Surface Science</i>, vol.
    605, pp. 824–830, 2011, doi: <a href="https://doi.org/10.1016/j.susc.2011.01.027">10.1016/j.susc.2011.01.027</a>.'
  mla: Favero, P. P., et al. “Driving Forces for the Adsorption of Cyclopentene on
    InP(001).” <i>Surface Science</i>, vol. 605, 2011, pp. 824–30, doi:<a href="https://doi.org/10.1016/j.susc.2011.01.027">10.1016/j.susc.2011.01.027</a>.
  short: P.P. Favero, A.C. Ferraz, W.G. Schmidt, R. Miotto, Surface Science 605 (2011)
    824–830.
date_created: 2019-10-01T09:14:22Z
date_updated: 2025-12-05T10:40:51Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1016/j.susc.2011.01.027
intvolume: '       605'
language:
- iso: eng
page: 824-830
publication: Surface Science
publication_identifier:
  issn:
  - 0039-6028
publication_status: published
status: public
title: Driving forces for the adsorption of cyclopentene on InP(001)
type: journal_article
user_id: '16199'
volume: 605
year: '2011'
...
---
_id: '13563'
author:
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: M.
  full_name: Babilon, M.
  last_name: Babilon
- first_name: C.
  full_name: Thierfelder, C.
  last_name: Thierfelder
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
citation:
  ama: Schmidt WG, Babilon M, Thierfelder C, Sanna S, Wippermann S. Influence of Na
    adsorption on the quantum conductance and metal-insulator transition of the In-Si(111)(4×1)–(8×2)
    nanowire array. <i>Physical Review B</i>. 2011;84(11). doi:<a href="https://doi.org/10.1103/physrevb.84.115416">10.1103/physrevb.84.115416</a>
  apa: Schmidt, W. G., Babilon, M., Thierfelder, C., Sanna, S., &#38; Wippermann,
    S. (2011). Influence of Na adsorption on the quantum conductance and metal-insulator
    transition of the In-Si(111)(4×1)–(8×2) nanowire array. <i>Physical Review B</i>,
    <i>84</i>(11). <a href="https://doi.org/10.1103/physrevb.84.115416">https://doi.org/10.1103/physrevb.84.115416</a>
  bibtex: '@article{Schmidt_Babilon_Thierfelder_Sanna_Wippermann_2011, title={Influence
    of Na adsorption on the quantum conductance and metal-insulator transition of
    the In-Si(111)(4×1)–(8×2) nanowire array}, volume={84}, DOI={<a href="https://doi.org/10.1103/physrevb.84.115416">10.1103/physrevb.84.115416</a>},
    number={11}, journal={Physical Review B}, author={Schmidt, Wolf Gero and Babilon,
    M. and Thierfelder, C. and Sanna, S. and Wippermann, S.}, year={2011} }'
  chicago: Schmidt, Wolf Gero, M. Babilon, C. Thierfelder, S. Sanna, and S. Wippermann.
    “Influence of Na Adsorption on the Quantum Conductance and Metal-Insulator Transition
    of the In-Si(111)(4×1)–(8×2) Nanowire Array.” <i>Physical Review B</i> 84, no.
    11 (2011). <a href="https://doi.org/10.1103/physrevb.84.115416">https://doi.org/10.1103/physrevb.84.115416</a>.
  ieee: 'W. G. Schmidt, M. Babilon, C. Thierfelder, S. Sanna, and S. Wippermann, “Influence
    of Na adsorption on the quantum conductance and metal-insulator transition of
    the In-Si(111)(4×1)–(8×2) nanowire array,” <i>Physical Review B</i>, vol. 84,
    no. 11, 2011, doi: <a href="https://doi.org/10.1103/physrevb.84.115416">10.1103/physrevb.84.115416</a>.'
  mla: Schmidt, Wolf Gero, et al. “Influence of Na Adsorption on the Quantum Conductance
    and Metal-Insulator Transition of the In-Si(111)(4×1)–(8×2) Nanowire Array.” <i>Physical
    Review B</i>, vol. 84, no. 11, 2011, doi:<a href="https://doi.org/10.1103/physrevb.84.115416">10.1103/physrevb.84.115416</a>.
  short: W.G. Schmidt, M. Babilon, C. Thierfelder, S. Sanna, S. Wippermann, Physical
    Review B 84 (2011).
date_created: 2019-10-01T09:01:58Z
date_updated: 2025-12-05T10:43:19Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.84.115416
intvolume: '        84'
issue: '11'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Influence of Na adsorption on the quantum conductance and metal-insulator transition
  of the In-Si(111)(4×1)–(8×2) nanowire array
type: journal_article
user_id: '16199'
volume: 84
year: '2011'
...
---
_id: '13561'
author:
- first_name: Gerhard
  full_name: Berth, Gerhard
  id: '53'
  last_name: Berth
- first_name: Wjatscheslaw
  full_name: Hahn, Wjatscheslaw
  last_name: Hahn
- first_name: Volker
  full_name: Wiedemeier, Volker
  last_name: Wiedemeier
- first_name: Artur
  full_name: Zrenner, Artur
  id: '606'
  last_name: Zrenner
  orcid: 0000-0002-5190-0944
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Berth G, Hahn W, Wiedemeier V, Zrenner A, Sanna S, Schmidt WG. Imaging of the
    Ferroelectric Domain Structures by Confocal Raman Spectroscopy. <i>Ferroelectrics</i>.
    2011;420:44-48. doi:<a href="https://doi.org/10.1080/00150193.2011.594774">10.1080/00150193.2011.594774</a>
  apa: Berth, G., Hahn, W., Wiedemeier, V., Zrenner, A., Sanna, S., &#38; Schmidt,
    W. G. (2011). Imaging of the Ferroelectric Domain Structures by Confocal Raman
    Spectroscopy. <i>Ferroelectrics</i>, <i>420</i>, 44–48. <a href="https://doi.org/10.1080/00150193.2011.594774">https://doi.org/10.1080/00150193.2011.594774</a>
  bibtex: '@article{Berth_Hahn_Wiedemeier_Zrenner_Sanna_Schmidt_2011, title={Imaging
    of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy}, volume={420},
    DOI={<a href="https://doi.org/10.1080/00150193.2011.594774">10.1080/00150193.2011.594774</a>},
    journal={Ferroelectrics}, author={Berth, Gerhard and Hahn, Wjatscheslaw and Wiedemeier,
    Volker and Zrenner, Artur and Sanna, Simone and Schmidt, Wolf Gero}, year={2011},
    pages={44–48} }'
  chicago: 'Berth, Gerhard, Wjatscheslaw Hahn, Volker Wiedemeier, Artur Zrenner, Simone
    Sanna, and Wolf Gero Schmidt. “Imaging of the Ferroelectric Domain Structures
    by Confocal Raman Spectroscopy.” <i>Ferroelectrics</i> 420 (2011): 44–48. <a href="https://doi.org/10.1080/00150193.2011.594774">https://doi.org/10.1080/00150193.2011.594774</a>.'
  ieee: 'G. Berth, W. Hahn, V. Wiedemeier, A. Zrenner, S. Sanna, and W. G. Schmidt,
    “Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy,”
    <i>Ferroelectrics</i>, vol. 420, pp. 44–48, 2011, doi: <a href="https://doi.org/10.1080/00150193.2011.594774">10.1080/00150193.2011.594774</a>.'
  mla: Berth, Gerhard, et al. “Imaging of the Ferroelectric Domain Structures by Confocal
    Raman Spectroscopy.” <i>Ferroelectrics</i>, vol. 420, 2011, pp. 44–48, doi:<a
    href="https://doi.org/10.1080/00150193.2011.594774">10.1080/00150193.2011.594774</a>.
  short: G. Berth, W. Hahn, V. Wiedemeier, A. Zrenner, S. Sanna, W.G. Schmidt, Ferroelectrics
    420 (2011) 44–48.
date_created: 2019-10-01T08:48:15Z
date_updated: 2025-12-05T10:43:51Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '290'
- _id: '35'
- _id: '230'
doi: 10.1080/00150193.2011.594774
funded_apc: '1'
intvolume: '       420'
language:
- iso: eng
page: 44-48
publication: Ferroelectrics
publication_identifier:
  issn:
  - 0015-0193
  - 1563-5112
publication_status: published
status: public
title: Imaging of the Ferroelectric Domain Structures by Confocal Raman Spectroscopy
type: journal_article
user_id: '16199'
volume: 420
year: '2011'
...
---
_id: '13564'
author:
- first_name: L. S.
  full_name: dos Santos, L. S.
  last_name: dos Santos
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
citation:
  ama: dos Santos LS, Schmidt WG, Rauls E. Group-VII point defects in ZnSe. <i>Physical
    Review B</i>. 2011;84(11). doi:<a href="https://doi.org/10.1103/physrevb.84.115201">10.1103/physrevb.84.115201</a>
  apa: dos Santos, L. S., Schmidt, W. G., &#38; Rauls, E. (2011). Group-VII point
    defects in ZnSe. <i>Physical Review B</i>, <i>84</i>(11). <a href="https://doi.org/10.1103/physrevb.84.115201">https://doi.org/10.1103/physrevb.84.115201</a>
  bibtex: '@article{dos Santos_Schmidt_Rauls_2011, title={Group-VII point defects
    in ZnSe}, volume={84}, DOI={<a href="https://doi.org/10.1103/physrevb.84.115201">10.1103/physrevb.84.115201</a>},
    number={11}, journal={Physical Review B}, author={dos Santos, L. S. and Schmidt,
    Wolf Gero and Rauls, E.}, year={2011} }'
  chicago: Santos, L. S. dos, Wolf Gero Schmidt, and E. Rauls. “Group-VII Point Defects
    in ZnSe.” <i>Physical Review B</i> 84, no. 11 (2011). <a href="https://doi.org/10.1103/physrevb.84.115201">https://doi.org/10.1103/physrevb.84.115201</a>.
  ieee: 'L. S. dos Santos, W. G. Schmidt, and E. Rauls, “Group-VII point defects in
    ZnSe,” <i>Physical Review B</i>, vol. 84, no. 11, 2011, doi: <a href="https://doi.org/10.1103/physrevb.84.115201">10.1103/physrevb.84.115201</a>.'
  mla: dos Santos, L. S., et al. “Group-VII Point Defects in ZnSe.” <i>Physical Review
    B</i>, vol. 84, no. 11, 2011, doi:<a href="https://doi.org/10.1103/physrevb.84.115201">10.1103/physrevb.84.115201</a>.
  short: L.S. dos Santos, W.G. Schmidt, E. Rauls, Physical Review B 84 (2011).
date_created: 2019-10-01T09:03:18Z
date_updated: 2025-12-05T10:42:56Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.84.115201
intvolume: '        84'
issue: '11'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Group-VII point defects in ZnSe
type: journal_article
user_id: '16199'
volume: 84
year: '2011'
...
---
_id: '62929'
abstract:
- lang: eng
  text: <jats:title>Abstract</jats:title><jats:p>Two slightly different, efficient
    tight‐binding (TB) models for the description of the electronic properties of
    nitride‐based semiconductor quantum dots (QDs) have been developed and applied
    to the calculation of the electronic one‐particle spectrum of these structures.
    Using these one‐particle QD‐states, dipole and Coulomb matrix elements can be
    calculated, from which the optical properties of these systems can be obtained.
    These TB calculations have been performed for nitride‐based QDs with a cubic zincblende
    structure and those with a wurtzite crystal structure. In this paper, we discuss
    the general methodology used and the results obtained for the electronic one‐particle
    states and energies, for the dipole and Coulomb matrix elements, and for the excitonic
    optical emission and absorption spectra.</jats:p>
author:
- first_name: S.
  full_name: Schulz, S.
  last_name: Schulz
- first_name: D.
  full_name: Mourad, D.
  last_name: Mourad
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
- first_name: G.
  full_name: Czycholl, G.
  last_name: Czycholl
citation:
  ama: Schulz S, Mourad D, Schumacher S, Czycholl G. Tight‐binding model for the electronic
    and optical properties of nitride‐based quantum dots. <i>physica status solidi
    (b)</i>. 2011;248(8):1853-1866. doi:<a href="https://doi.org/10.1002/pssb.201147158">10.1002/pssb.201147158</a>
  apa: Schulz, S., Mourad, D., Schumacher, S., &#38; Czycholl, G. (2011). Tight‐binding
    model for the electronic and optical properties of nitride‐based quantum dots.
    <i>Physica Status Solidi (b)</i>, <i>248</i>(8), 1853–1866. <a href="https://doi.org/10.1002/pssb.201147158">https://doi.org/10.1002/pssb.201147158</a>
  bibtex: '@article{Schulz_Mourad_Schumacher_Czycholl_2011, title={Tight‐binding model
    for the electronic and optical properties of nitride‐based quantum dots}, volume={248},
    DOI={<a href="https://doi.org/10.1002/pssb.201147158">10.1002/pssb.201147158</a>},
    number={8}, journal={physica status solidi (b)}, publisher={Wiley}, author={Schulz,
    S. and Mourad, D. and Schumacher, Stefan and Czycholl, G.}, year={2011}, pages={1853–1866}
    }'
  chicago: 'Schulz, S., D. Mourad, Stefan Schumacher, and G. Czycholl. “Tight‐binding
    Model for the Electronic and Optical Properties of Nitride‐based Quantum Dots.”
    <i>Physica Status Solidi (b)</i> 248, no. 8 (2011): 1853–66. <a href="https://doi.org/10.1002/pssb.201147158">https://doi.org/10.1002/pssb.201147158</a>.'
  ieee: 'S. Schulz, D. Mourad, S. Schumacher, and G. Czycholl, “Tight‐binding model
    for the electronic and optical properties of nitride‐based quantum dots,” <i>physica
    status solidi (b)</i>, vol. 248, no. 8, pp. 1853–1866, 2011, doi: <a href="https://doi.org/10.1002/pssb.201147158">10.1002/pssb.201147158</a>.'
  mla: Schulz, S., et al. “Tight‐binding Model for the Electronic and Optical Properties
    of Nitride‐based Quantum Dots.” <i>Physica Status Solidi (b)</i>, vol. 248, no.
    8, Wiley, 2011, pp. 1853–66, doi:<a href="https://doi.org/10.1002/pssb.201147158">10.1002/pssb.201147158</a>.
  short: S. Schulz, D. Mourad, S. Schumacher, G. Czycholl, Physica Status Solidi (b)
    248 (2011) 1853–1866.
date_created: 2025-12-05T15:08:01Z
date_updated: 2025-12-05T15:08:40Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
doi: 10.1002/pssb.201147158
intvolume: '       248'
issue: '8'
language:
- iso: eng
page: 1853-1866
publication: physica status solidi (b)
publication_identifier:
  issn:
  - 0370-1972
  - 1521-3951
publication_status: published
publisher: Wiley
status: public
title: Tight‐binding model for the electronic and optical properties of nitride‐based
  quantum dots
type: journal_article
user_id: '16199'
volume: 248
year: '2011'
...
---
_id: '62928'
author:
- first_name: Neil A.
  full_name: Montgomery, Neil A.
  last_name: Montgomery
- first_name: Jean-Christophe
  full_name: Denis, Jean-Christophe
  last_name: Denis
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
- first_name: Arvydas
  full_name: Ruseckas, Arvydas
  last_name: Ruseckas
- first_name: Peter J.
  full_name: Skabara, Peter J.
  last_name: Skabara
- first_name: Alexander
  full_name: Kanibolotsky, Alexander
  last_name: Kanibolotsky
- first_name: Martin J.
  full_name: Paterson, Martin J.
  last_name: Paterson
- first_name: Ian
  full_name: Galbraith, Ian
  last_name: Galbraith
- first_name: Graham A.
  full_name: Turnbull, Graham A.
  last_name: Turnbull
- first_name: Ifor D. W.
  full_name: Samuel, Ifor D. W.
  last_name: Samuel
citation:
  ama: Montgomery NA, Denis J-C, Schumacher S, et al. Optical Excitations in Star-Shaped
    Fluorene Molecules. <i>The Journal of Physical Chemistry A</i>. 2011;115(14):2913-2919.
    doi:<a href="https://doi.org/10.1021/jp1109042">10.1021/jp1109042</a>
  apa: Montgomery, N. A., Denis, J.-C., Schumacher, S., Ruseckas, A., Skabara, P.
    J., Kanibolotsky, A., Paterson, M. J., Galbraith, I., Turnbull, G. A., &#38; Samuel,
    I. D. W. (2011). Optical Excitations in Star-Shaped Fluorene Molecules. <i>The
    Journal of Physical Chemistry A</i>, <i>115</i>(14), 2913–2919. <a href="https://doi.org/10.1021/jp1109042">https://doi.org/10.1021/jp1109042</a>
  bibtex: '@article{Montgomery_Denis_Schumacher_Ruseckas_Skabara_Kanibolotsky_Paterson_Galbraith_Turnbull_Samuel_2011,
    title={Optical Excitations in Star-Shaped Fluorene Molecules}, volume={115}, DOI={<a
    href="https://doi.org/10.1021/jp1109042">10.1021/jp1109042</a>}, number={14},
    journal={The Journal of Physical Chemistry A}, publisher={American Chemical Society
    (ACS)}, author={Montgomery, Neil A. and Denis, Jean-Christophe and Schumacher,
    Stefan and Ruseckas, Arvydas and Skabara, Peter J. and Kanibolotsky, Alexander
    and Paterson, Martin J. and Galbraith, Ian and Turnbull, Graham A. and Samuel,
    Ifor D. W.}, year={2011}, pages={2913–2919} }'
  chicago: 'Montgomery, Neil A., Jean-Christophe Denis, Stefan Schumacher, Arvydas
    Ruseckas, Peter J. Skabara, Alexander Kanibolotsky, Martin J. Paterson, Ian Galbraith,
    Graham A. Turnbull, and Ifor D. W. Samuel. “Optical Excitations in Star-Shaped
    Fluorene Molecules.” <i>The Journal of Physical Chemistry A</i> 115, no. 14 (2011):
    2913–19. <a href="https://doi.org/10.1021/jp1109042">https://doi.org/10.1021/jp1109042</a>.'
  ieee: 'N. A. Montgomery <i>et al.</i>, “Optical Excitations in Star-Shaped Fluorene
    Molecules,” <i>The Journal of Physical Chemistry A</i>, vol. 115, no. 14, pp.
    2913–2919, 2011, doi: <a href="https://doi.org/10.1021/jp1109042">10.1021/jp1109042</a>.'
  mla: Montgomery, Neil A., et al. “Optical Excitations in Star-Shaped Fluorene Molecules.”
    <i>The Journal of Physical Chemistry A</i>, vol. 115, no. 14, American Chemical
    Society (ACS), 2011, pp. 2913–19, doi:<a href="https://doi.org/10.1021/jp1109042">10.1021/jp1109042</a>.
  short: N.A. Montgomery, J.-C. Denis, S. Schumacher, A. Ruseckas, P.J. Skabara, A.
    Kanibolotsky, M.J. Paterson, I. Galbraith, G.A. Turnbull, I.D.W. Samuel, The Journal
    of Physical Chemistry A 115 (2011) 2913–2919.
date_created: 2025-12-05T15:06:48Z
date_updated: 2025-12-05T15:07:33Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
doi: 10.1021/jp1109042
intvolume: '       115'
issue: '14'
language:
- iso: eng
page: 2913-2919
publication: The Journal of Physical Chemistry A
publication_identifier:
  issn:
  - 1089-5639
  - 1520-5215
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Optical Excitations in Star-Shaped Fluorene Molecules
type: journal_article
user_id: '16199'
volume: 115
year: '2011'
...
---
_id: '63079'
author:
- first_name: Sabine
  full_name: Fechner, Sabine
  id: '54823'
  last_name: Fechner
  orcid: 0000-0001-5645-5870
- first_name: T.
  full_name: Bremkes, T.
  last_name: Bremkes
- first_name: Andrea
  full_name: Harbach, Andrea
  last_name: Harbach
- first_name: Eva
  full_name: Kölbach, Eva
  last_name: Kölbach
- first_name: Martin
  full_name: Lindner, Martin
  last_name: Lindner
- first_name: Peter
  full_name: Nentwig, Peter
  last_name: Nentwig
- first_name: Ilka
  full_name: Parchmann, Ilka
  last_name: Parchmann
- first_name: Bernd
  full_name: Ralle, Bernd
  last_name: Ralle
- first_name: Elke
  full_name: Sumfleth, Elke
  last_name: Sumfleth
- first_name: 'Helena '
  full_name: 'van Vorst, Helena '
  last_name: van Vorst
citation:
  ama: 'Fechner S, Bremkes T, Harbach A, et al. Kontextorientiertes Lernen in der
    chemiedidaktischen Forschung. In: Höttecke D, ed. <i>Naturwissenschaftliche Bildung
    Als Beitrag Zur Gestaltung Partizipativer Demokratie</i>. Lit; 2011.'
  apa: Fechner, S., Bremkes, T., Harbach, A., Kölbach, E., Lindner, M., Nentwig, P.,
    Parchmann, I., Ralle, B., Sumfleth, E., &#38; van Vorst, H. (2011). Kontextorientiertes
    Lernen in der chemiedidaktischen Forschung. In D. Höttecke (Ed.), <i>Naturwissenschaftliche
    Bildung als Beitrag zur Gestaltung partizipativer Demokratie</i>. Lit.
  bibtex: '@inproceedings{Fechner_Bremkes_Harbach_Kölbach_Lindner_Nentwig_Parchmann_Ralle_Sumfleth_van
    Vorst_2011, place={Münster}, title={Kontextorientiertes Lernen in der chemiedidaktischen
    Forschung}, booktitle={Naturwissenschaftliche Bildung als Beitrag zur Gestaltung
    partizipativer Demokratie}, publisher={Lit}, author={Fechner, Sabine and Bremkes,
    T. and Harbach, Andrea and Kölbach, Eva and Lindner, Martin and Nentwig, Peter
    and Parchmann, Ilka and Ralle, Bernd and Sumfleth, Elke and van Vorst, Helena
    }, editor={Höttecke, Dietmar}, year={2011} }'
  chicago: 'Fechner, Sabine, T. Bremkes, Andrea Harbach, Eva Kölbach, Martin Lindner,
    Peter Nentwig, Ilka Parchmann, Bernd Ralle, Elke Sumfleth, and Helena  van Vorst.
    “Kontextorientiertes Lernen in Der Chemiedidaktischen Forschung.” In <i>Naturwissenschaftliche
    Bildung Als Beitrag Zur Gestaltung Partizipativer Demokratie</i>, edited by Dietmar
    Höttecke. Münster: Lit, 2011.'
  ieee: S. Fechner <i>et al.</i>, “Kontextorientiertes Lernen in der chemiedidaktischen
    Forschung,” in <i>Naturwissenschaftliche Bildung als Beitrag zur Gestaltung partizipativer
    Demokratie</i>, 2011.
  mla: Fechner, Sabine, et al. “Kontextorientiertes Lernen in Der Chemiedidaktischen
    Forschung.” <i>Naturwissenschaftliche Bildung Als Beitrag Zur Gestaltung Partizipativer
    Demokratie</i>, edited by Dietmar Höttecke, Lit, 2011.
  short: 'S. Fechner, T. Bremkes, A. Harbach, E. Kölbach, M. Lindner, P. Nentwig,
    I. Parchmann, B. Ralle, E. Sumfleth, H. van Vorst, in: D. Höttecke (Ed.), Naturwissenschaftliche
    Bildung Als Beitrag Zur Gestaltung Partizipativer Demokratie, Lit, Münster, 2011.'
date_created: 2025-12-13T23:00:36Z
date_updated: 2025-12-13T23:11:18Z
department:
- _id: '386'
editor:
- first_name: Dietmar
  full_name: Höttecke, Dietmar
  last_name: Höttecke
extern: '1'
language:
- iso: eng
place: Münster
publication: Naturwissenschaftliche Bildung als Beitrag zur Gestaltung partizipativer
  Demokratie
publisher: Lit
status: public
title: Kontextorientiertes Lernen in der chemiedidaktischen Forschung
type: conference
user_id: '54823'
year: '2011'
...
---
_id: '13825'
author:
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: C.
  full_name: Thierfelder, C.
  last_name: Thierfelder
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: T. P.
  full_name: Sinha, T. P.
  last_name: Sinha
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Sanna S, Thierfelder C, Wippermann S, Sinha TP, Schmidt WG. Barium titanate
    ground- and excited-state properties from first-principles calculations. <i>Physical
    Review B</i>. 2011;83(5). doi:<a href="https://doi.org/10.1103/physrevb.83.054112">10.1103/physrevb.83.054112</a>
  apa: Sanna, S., Thierfelder, C., Wippermann, S., Sinha, T. P., &#38; Schmidt, W.
    G. (2011). Barium titanate ground- and excited-state properties from first-principles
    calculations. <i>Physical Review B</i>, <i>83</i>(5). <a href="https://doi.org/10.1103/physrevb.83.054112">https://doi.org/10.1103/physrevb.83.054112</a>
  bibtex: '@article{Sanna_Thierfelder_Wippermann_Sinha_Schmidt_2011, title={Barium
    titanate ground- and excited-state properties from first-principles calculations},
    volume={83}, DOI={<a href="https://doi.org/10.1103/physrevb.83.054112">10.1103/physrevb.83.054112</a>},
    number={5}, journal={Physical Review B}, author={Sanna, S. and Thierfelder, C.
    and Wippermann, S. and Sinha, T. P. and Schmidt, Wolf Gero}, year={2011} }'
  chicago: Sanna, S., C. Thierfelder, S. Wippermann, T. P. Sinha, and Wolf Gero Schmidt.
    “Barium Titanate Ground- and Excited-State Properties from First-Principles Calculations.”
    <i>Physical Review B</i> 83, no. 5 (2011). <a href="https://doi.org/10.1103/physrevb.83.054112">https://doi.org/10.1103/physrevb.83.054112</a>.
  ieee: 'S. Sanna, C. Thierfelder, S. Wippermann, T. P. Sinha, and W. G. Schmidt,
    “Barium titanate ground- and excited-state properties from first-principles calculations,”
    <i>Physical Review B</i>, vol. 83, no. 5, 2011, doi: <a href="https://doi.org/10.1103/physrevb.83.054112">10.1103/physrevb.83.054112</a>.'
  mla: Sanna, S., et al. “Barium Titanate Ground- and Excited-State Properties from
    First-Principles Calculations.” <i>Physical Review B</i>, vol. 83, no. 5, 2011,
    doi:<a href="https://doi.org/10.1103/physrevb.83.054112">10.1103/physrevb.83.054112</a>.
  short: S. Sanna, C. Thierfelder, S. Wippermann, T.P. Sinha, W.G. Schmidt, Physical
    Review B 83 (2011).
date_created: 2019-10-15T07:20:17Z
date_updated: 2025-12-16T07:41:16Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.83.054112
funded_apc: '1'
intvolume: '        83'
issue: '5'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Barium titanate ground- and excited-state properties from first-principles
  calculations
type: journal_article
user_id: '16199'
volume: 83
year: '2011'
...
---
_id: '13823'
author:
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: Gerhard
  full_name: Berth, Gerhard
  id: '53'
  last_name: Berth
- first_name: W.
  full_name: Hahn, W.
  last_name: Hahn
- first_name: A.
  full_name: Widhalm, A.
  last_name: Widhalm
- first_name: Artur
  full_name: Zrenner, Artur
  id: '606'
  last_name: Zrenner
  orcid: 0000-0002-5190-0944
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Sanna S, Berth G, Hahn W, Widhalm A, Zrenner A, Schmidt WG. Vibrational properties
    of the LiNbO3 z-surfaces. <i>IEEE Transactions on Ultrasonics, Ferroelectrics
    and Frequency Control</i>. 2011;58(9):1751-1756. doi:<a href="https://doi.org/10.1109/tuffc.2011.2012">10.1109/tuffc.2011.2012</a>
  apa: Sanna, S., Berth, G., Hahn, W., Widhalm, A., Zrenner, A., &#38; Schmidt, W.
    G. (2011). Vibrational properties of the LiNbO3 z-surfaces. <i>IEEE Transactions
    on Ultrasonics, Ferroelectrics and Frequency Control</i>, <i>58</i>(9), 1751–1756.
    <a href="https://doi.org/10.1109/tuffc.2011.2012">https://doi.org/10.1109/tuffc.2011.2012</a>
  bibtex: '@article{Sanna_Berth_Hahn_Widhalm_Zrenner_Schmidt_2011, title={Vibrational
    properties of the LiNbO3 z-surfaces}, volume={58}, DOI={<a href="https://doi.org/10.1109/tuffc.2011.2012">10.1109/tuffc.2011.2012</a>},
    number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency
    Control}, author={Sanna, S. and Berth, Gerhard and Hahn, W. and Widhalm, A. and
    Zrenner, Artur and Schmidt, Wolf Gero}, year={2011}, pages={1751–1756} }'
  chicago: 'Sanna, S., Gerhard Berth, W. Hahn, A. Widhalm, Artur Zrenner, and Wolf
    Gero Schmidt. “Vibrational Properties of the LiNbO3 Z-Surfaces.” <i>IEEE Transactions
    on Ultrasonics, Ferroelectrics and Frequency Control</i> 58, no. 9 (2011): 1751–56.
    <a href="https://doi.org/10.1109/tuffc.2011.2012">https://doi.org/10.1109/tuffc.2011.2012</a>.'
  ieee: 'S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, and W. G. Schmidt, “Vibrational
    properties of the LiNbO3 z-surfaces,” <i>IEEE Transactions on Ultrasonics, Ferroelectrics
    and Frequency Control</i>, vol. 58, no. 9, pp. 1751–1756, 2011, doi: <a href="https://doi.org/10.1109/tuffc.2011.2012">10.1109/tuffc.2011.2012</a>.'
  mla: Sanna, S., et al. “Vibrational Properties of the LiNbO3 Z-Surfaces.” <i>IEEE
    Transactions on Ultrasonics, Ferroelectrics and Frequency Control</i>, vol. 58,
    no. 9, 2011, pp. 1751–56, doi:<a href="https://doi.org/10.1109/tuffc.2011.2012">10.1109/tuffc.2011.2012</a>.
  short: S. Sanna, G. Berth, W. Hahn, A. Widhalm, A. Zrenner, W.G. Schmidt, IEEE Transactions
    on Ultrasonics, Ferroelectrics and Frequency Control 58 (2011) 1751–1756.
date_created: 2019-10-15T07:12:33Z
date_updated: 2025-12-16T07:51:55Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '290'
- _id: '230'
- _id: '27'
doi: 10.1109/tuffc.2011.2012
funded_apc: '1'
intvolume: '        58'
issue: '9'
language:
- iso: eng
page: 1751-1756
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control
publication_identifier:
  issn:
  - 0885-3010
publication_status: published
status: public
title: Vibrational properties of the LiNbO3 z-surfaces
type: journal_article
user_id: '16199'
volume: 58
year: '2011'
...
---
_id: '13824'
author:
- first_name: F.
  full_name: Zirkelbach, F.
  last_name: Zirkelbach
- first_name: B.
  full_name: Stritzker, B.
  last_name: Stritzker
- first_name: K.
  full_name: Nordlund, K.
  last_name: Nordlund
- first_name: J. K. N.
  full_name: Lindner, J. K. N.
  last_name: Lindner
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
citation:
  ama: Zirkelbach F, Stritzker B, Nordlund K, Lindner JKN, Schmidt WG, Rauls E. Combined
    ab initio and classical potential simulation study on silicon carbide precipitation
    in silicon. <i>Physical Review B</i>. 2011;84(6). doi:<a href="https://doi.org/10.1103/physrevb.84.064126">10.1103/physrevb.84.064126</a>
  apa: Zirkelbach, F., Stritzker, B., Nordlund, K., Lindner, J. K. N., Schmidt, W.
    G., &#38; Rauls, E. (2011). Combined ab initio and classical potential simulation
    study on silicon carbide precipitation in silicon. <i>Physical Review B</i>, <i>84</i>(6).
    <a href="https://doi.org/10.1103/physrevb.84.064126">https://doi.org/10.1103/physrevb.84.064126</a>
  bibtex: '@article{Zirkelbach_Stritzker_Nordlund_Lindner_Schmidt_Rauls_2011, title={Combined
    ab initio and classical potential simulation study on silicon carbide precipitation
    in silicon}, volume={84}, DOI={<a href="https://doi.org/10.1103/physrevb.84.064126">10.1103/physrevb.84.064126</a>},
    number={6}, journal={Physical Review B}, author={Zirkelbach, F. and Stritzker,
    B. and Nordlund, K. and Lindner, J. K. N. and Schmidt, Wolf Gero and Rauls, E.},
    year={2011} }'
  chicago: Zirkelbach, F., B. Stritzker, K. Nordlund, J. K. N. Lindner, Wolf Gero
    Schmidt, and E. Rauls. “Combined Ab Initio and Classical Potential Simulation
    Study on Silicon Carbide Precipitation in Silicon.” <i>Physical Review B</i> 84,
    no. 6 (2011). <a href="https://doi.org/10.1103/physrevb.84.064126">https://doi.org/10.1103/physrevb.84.064126</a>.
  ieee: 'F. Zirkelbach, B. Stritzker, K. Nordlund, J. K. N. Lindner, W. G. Schmidt,
    and E. Rauls, “Combined ab initio and classical potential simulation study on
    silicon carbide precipitation in silicon,” <i>Physical Review B</i>, vol. 84,
    no. 6, 2011, doi: <a href="https://doi.org/10.1103/physrevb.84.064126">10.1103/physrevb.84.064126</a>.'
  mla: Zirkelbach, F., et al. “Combined Ab Initio and Classical Potential Simulation
    Study on Silicon Carbide Precipitation in Silicon.” <i>Physical Review B</i>,
    vol. 84, no. 6, 2011, doi:<a href="https://doi.org/10.1103/physrevb.84.064126">10.1103/physrevb.84.064126</a>.
  short: F. Zirkelbach, B. Stritzker, K. Nordlund, J.K.N. Lindner, W.G. Schmidt, E.
    Rauls, Physical Review B 84 (2011).
date_created: 2019-10-15T07:16:32Z
date_updated: 2025-12-16T07:51:00Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1103/physrevb.84.064126
funded_apc: '1'
intvolume: '        84'
issue: '6'
language:
- iso: eng
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Combined ab initio and classical potential simulation study on silicon carbide
  precipitation in silicon
type: journal_article
user_id: '16199'
volume: 84
year: '2011'
...
---
_id: '4089'
abstract:
- lang: eng
  text: We study the influence of the phonon environment on the electron dynamics
    in a doped quantum dot molecule. A non-perturbative quantumkinetic theory based
    on correlation expansion is used in order to describe both diagonal and off-diagonal
    electron-phonon couplings representing real and virtual processes with relevant
    acoustic phonons. We show that the relaxation is dominated by phononassisted electron
    tunneling between constituent quantum dots and occurs on a picosecond time scale.
    The dependence of the time evolution of the quantum dot occupation probabilities
    on the energy mismatch between the quantum dots is studied in detail.
article_type: original
author:
- first_name: Anna
  full_name: Grodecka-Grad, Anna
  last_name: Grodecka-Grad
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
citation:
  ama: Grodecka-Grad A, Förstner J. Phonon-assisted decoherence and tunneling in quantum
    dot molecules. <i>physica status solidi (c)</i>. 2011;8(4):1125-1128. doi:<a href="https://doi.org/10.1002/pssc.201000824">10.1002/pssc.201000824</a>
  apa: Grodecka-Grad, A., &#38; Förstner, J. (2011). Phonon-assisted decoherence and
    tunneling in quantum dot molecules. <i>Physica Status Solidi (c)</i>, <i>8</i>(4),
    1125–1128. <a href="https://doi.org/10.1002/pssc.201000824">https://doi.org/10.1002/pssc.201000824</a>
  bibtex: '@article{Grodecka-Grad_Förstner_2011, title={Phonon-assisted decoherence
    and tunneling in quantum dot molecules}, volume={8}, DOI={<a href="https://doi.org/10.1002/pssc.201000824">10.1002/pssc.201000824</a>},
    number={4}, journal={physica status solidi (c)}, publisher={Wiley}, author={Grodecka-Grad,
    Anna and Förstner, Jens}, year={2011}, pages={1125–1128} }'
  chicago: 'Grodecka-Grad, Anna, and Jens Förstner. “Phonon-Assisted Decoherence and
    Tunneling in Quantum Dot Molecules.” <i>Physica Status Solidi (c)</i> 8, no. 4
    (2011): 1125–28. <a href="https://doi.org/10.1002/pssc.201000824">https://doi.org/10.1002/pssc.201000824</a>.'
  ieee: 'A. Grodecka-Grad and J. Förstner, “Phonon-assisted decoherence and tunneling
    in quantum dot molecules,” <i>physica status solidi (c)</i>, vol. 8, no. 4, pp.
    1125–1128, 2011, doi: <a href="https://doi.org/10.1002/pssc.201000824">10.1002/pssc.201000824</a>.'
  mla: Grodecka-Grad, Anna, and Jens Förstner. “Phonon-Assisted Decoherence and Tunneling
    in Quantum Dot Molecules.” <i>Physica Status Solidi (c)</i>, vol. 8, no. 4, Wiley,
    2011, pp. 1125–28, doi:<a href="https://doi.org/10.1002/pssc.201000824">10.1002/pssc.201000824</a>.
  short: A. Grodecka-Grad, J. Förstner, Physica Status Solidi (c) 8 (2011) 1125–1128.
date_created: 2018-08-23T09:43:57Z
date_updated: 2025-12-16T08:12:02Z
ddc:
- '530'
department:
- _id: '170'
- _id: '35'
- _id: '15'
- _id: '61'
- _id: '638'
- _id: '894'
- _id: '3'
- _id: '230'
doi: 10.1002/pssc.201000824
file:
- access_level: closed
  content_type: application/pdf
  creator: hclaudia
  date_created: 2018-08-23T09:45:30Z
  date_updated: 2018-08-23T09:45:30Z
  file_id: '4090'
  file_name: 2011 Grodecka-Grad,Förstner_ Phonon-assisted decoherence and tunneling
    in quantum dot molecules.pdf
  file_size: 202905
  relation: main_file
  success: 1
file_date_updated: 2018-08-23T09:45:30Z
has_accepted_license: '1'
intvolume: '         8'
issue: '4'
keyword:
- tet_topic_qd
language:
- iso: eng
page: 1125-1128
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
publication_status: published
publisher: Wiley
status: public
title: Phonon-assisted decoherence and tunneling in quantum dot molecules
type: journal_article
user_id: '16199'
volume: 8
year: '2011'
...
---
_id: '4120'
abstract:
- lang: eng
  text: "The intensity dependence of optically-induced injection currents in unbiased
    GaAs semiconductor quantum wells grown in [110] direction is investigated theoretically
    for a number of well widths. Our microscopic analysis is based\r\non a 14 x 14
    band k . p method in combination with the multisubband semiconductor Bloch equations.
    An oscillatory\r\ndependence of the injection current transients as function of
    intensity and time is predicted and explained. It is demonstrated that optical
    excitations involving different subbands and Rabi flopping are responsible for
    this complex\r\ndynamics."
article_type: original
author:
- first_name: Michał
  full_name: Pochwała, Michał
  last_name: Pochwała
- first_name: Huynh Thanh
  full_name: Duc, Huynh Thanh
  last_name: Duc
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
citation:
  ama: Pochwała M, Duc HT, Förstner J, Meier T. Intensity-dependent ultrafast dynamics
    of injection currents in unbiased GaAs quantum wells. <i>physica status solidi
    (RRL) - Rapid Research Letters</i>. 2011;5(3):119-121. doi:<a href="https://doi.org/10.1002/pssr.201004529">10.1002/pssr.201004529</a>
  apa: Pochwała, M., Duc, H. T., Förstner, J., &#38; Meier, T. (2011). Intensity-dependent
    ultrafast dynamics of injection currents in unbiased GaAs quantum wells. <i>Physica
    Status Solidi (RRL) - Rapid Research Letters</i>, <i>5</i>(3), 119–121. <a href="https://doi.org/10.1002/pssr.201004529">https://doi.org/10.1002/pssr.201004529</a>
  bibtex: '@article{Pochwała_Duc_Förstner_Meier_2011, title={Intensity-dependent ultrafast
    dynamics of injection currents in unbiased GaAs quantum wells}, volume={5}, DOI={<a
    href="https://doi.org/10.1002/pssr.201004529">10.1002/pssr.201004529</a>}, number={3},
    journal={physica status solidi (RRL) - Rapid Research Letters}, publisher={Wiley},
    author={Pochwała, Michał and Duc, Huynh Thanh and Förstner, Jens and Meier, Torsten},
    year={2011}, pages={119–121} }'
  chicago: 'Pochwała, Michał, Huynh Thanh Duc, Jens Förstner, and Torsten Meier. “Intensity-Dependent
    Ultrafast Dynamics of Injection Currents in Unbiased GaAs Quantum Wells.” <i>Physica
    Status Solidi (RRL) - Rapid Research Letters</i> 5, no. 3 (2011): 119–21. <a href="https://doi.org/10.1002/pssr.201004529">https://doi.org/10.1002/pssr.201004529</a>.'
  ieee: 'M. Pochwała, H. T. Duc, J. Förstner, and T. Meier, “Intensity-dependent ultrafast
    dynamics of injection currents in unbiased GaAs quantum wells,” <i>physica status
    solidi (RRL) - Rapid Research Letters</i>, vol. 5, no. 3, pp. 119–121, 2011, doi:
    <a href="https://doi.org/10.1002/pssr.201004529">10.1002/pssr.201004529</a>.'
  mla: Pochwała, Michał, et al. “Intensity-Dependent Ultrafast Dynamics of Injection
    Currents in Unbiased GaAs Quantum Wells.” <i>Physica Status Solidi (RRL) - Rapid
    Research Letters</i>, vol. 5, no. 3, Wiley, 2011, pp. 119–21, doi:<a href="https://doi.org/10.1002/pssr.201004529">10.1002/pssr.201004529</a>.
  short: M. Pochwała, H.T. Duc, J. Förstner, T. Meier, Physica Status Solidi (RRL)
    - Rapid Research Letters 5 (2011) 119–121.
date_created: 2018-08-27T09:25:39Z
date_updated: 2025-12-16T11:22:28Z
ddc:
- '530'
department:
- _id: '15'
- _id: '230'
- _id: '293'
- _id: '170'
- _id: '35'
- _id: '34'
- _id: '61'
doi: 10.1002/pssr.201004529
file:
- access_level: closed
  content_type: application/pdf
  creator: hclaudia
  date_created: 2018-08-27T09:28:02Z
  date_updated: 2018-08-27T09:28:02Z
  file_id: '4121'
  file_name: 2011 Pochwala,Duc,Förster,Meier_Intensity-dependent ultrafast dynamics
    of injection currents in unbased GaAs quantum wells.pdf
  file_size: 1267398
  relation: main_file
  success: 1
file_date_updated: 2018-08-27T09:28:02Z
has_accepted_license: '1'
intvolume: '         5'
issue: '3'
keyword:
- tet_topic_qw
language:
- iso: eng
page: 119-121
publication: physica status solidi (RRL) - Rapid Research Letters
publication_identifier:
  issn:
  - 1862-6254
publication_status: published
publisher: Wiley
status: public
title: Intensity-dependent ultrafast dynamics of injection currents in unbiased GaAs
  quantum wells
type: journal_article
user_id: '16199'
volume: 5
year: '2011'
...