---
_id: '13656'
author:
- first_name: C.
  full_name: Bihler, C.
  last_name: Bihler
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: M.
  full_name: Hoeb, M.
  last_name: Hoeb
- first_name: T.
  full_name: Graf, T.
  last_name: Graf
- first_name: M.
  full_name: Gjukic, M.
  last_name: Gjukic
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: M.
  full_name: Stutzmann, M.
  last_name: Stutzmann
- first_name: M. S.
  full_name: Brandt, M. S.
  last_name: Brandt
citation:
  ama: Bihler C, Gerstmann U, Hoeb M, et al. Manganese-hydrogen complexes inGa1−xMnxN.
    <i>Physical Review B</i>. 2010;80(20). doi:<a href="https://doi.org/10.1103/physrevb.80.205205">10.1103/physrevb.80.205205</a>
  apa: Bihler, C., Gerstmann, U., Hoeb, M., Graf, T., Gjukic, M., Schmidt, W. G.,
    Stutzmann, M., &#38; Brandt, M. S. (2010). Manganese-hydrogen complexes inGa1−xMnxN.
    <i>Physical Review B</i>, <i>80</i>(20). <a href="https://doi.org/10.1103/physrevb.80.205205">https://doi.org/10.1103/physrevb.80.205205</a>
  bibtex: '@article{Bihler_Gerstmann_Hoeb_Graf_Gjukic_Schmidt_Stutzmann_Brandt_2010,
    title={Manganese-hydrogen complexes inGa1−xMnxN}, volume={80}, DOI={<a href="https://doi.org/10.1103/physrevb.80.205205">10.1103/physrevb.80.205205</a>},
    number={20}, journal={Physical Review B}, author={Bihler, C. and Gerstmann, Uwe
    and Hoeb, M. and Graf, T. and Gjukic, M. and Schmidt, Wolf Gero and Stutzmann,
    M. and Brandt, M. S.}, year={2010} }'
  chicago: Bihler, C., Uwe Gerstmann, M. Hoeb, T. Graf, M. Gjukic, Wolf Gero Schmidt,
    M. Stutzmann, and M. S. Brandt. “Manganese-Hydrogen Complexes InGa1−xMnxN.” <i>Physical
    Review B</i> 80, no. 20 (2010). <a href="https://doi.org/10.1103/physrevb.80.205205">https://doi.org/10.1103/physrevb.80.205205</a>.
  ieee: 'C. Bihler <i>et al.</i>, “Manganese-hydrogen complexes inGa1−xMnxN,” <i>Physical
    Review B</i>, vol. 80, no. 20, 2010, doi: <a href="https://doi.org/10.1103/physrevb.80.205205">10.1103/physrevb.80.205205</a>.'
  mla: Bihler, C., et al. “Manganese-Hydrogen Complexes InGa1−xMnxN.” <i>Physical
    Review B</i>, vol. 80, no. 20, 2010, doi:<a href="https://doi.org/10.1103/physrevb.80.205205">10.1103/physrevb.80.205205</a>.
  short: C. Bihler, U. Gerstmann, M. Hoeb, T. Graf, M. Gjukic, W.G. Schmidt, M. Stutzmann,
    M.S. Brandt, Physical Review B 80 (2010).
date_created: 2019-10-09T09:00:28Z
date_updated: 2025-12-05T13:14:00Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
doi: 10.1103/physrevb.80.205205
intvolume: '        80'
issue: '20'
language:
- iso: eng
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Manganese-hydrogen complexes inGa1−xMnxN
type: journal_article
user_id: '16199'
volume: 80
year: '2010'
...
---
_id: '13837'
abstract:
- lang: eng
  text: <jats:p>In non-annealed 6H-SiC samples that were electron irradiated at room
    temperature, a new EPR signal due to a S=1 defect center with exceptionally large
    zero-field splitting (D = +652•10-4 cm-1) has been observed under illumination.
    A positive sign of D demonstrates that the spin-orbit contribution to the zero-field
    splitting exceeds by far that of the spin-spin interaction. A principal axis of
    the fine structure tilted by 59° against the crystal c-axis as well as the exceptionally
    high zero-field splitting D can be qualitatively understood by the occurrence
    of additional close-lying defect levels in defect clusters resulting in comparatively
    large second-order spin-orbit coup¬ling. A tentative assignment to vacancy clusters
    is supported by the observed annealing behavior.  </jats:p>
author:
- first_name: Andreas
  full_name: Scholle, Andreas
  last_name: Scholle
- first_name: Siegmund
  full_name: Greulich-Weber, Siegmund
  last_name: Greulich-Weber
- 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: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: Scholle A, Greulich-Weber S, Rauls E, Schmidt WG, Gerstmann U. Fine Structure
    of Triplet Centers in Room Temperature Irradiated 6H-SiC. <i>Materials Science
    Forum</i>. 2010;645-648:403-406. doi:<a href="https://doi.org/10.4028/www.scientific.net/msf.645-648.403">10.4028/www.scientific.net/msf.645-648.403</a>
  apa: Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., &#38; Gerstmann,
    U. (2010). Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC.
    <i>Materials Science Forum</i>, <i>645–648</i>, 403–406. <a href="https://doi.org/10.4028/www.scientific.net/msf.645-648.403">https://doi.org/10.4028/www.scientific.net/msf.645-648.403</a>
  bibtex: '@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2010, title={Fine
    Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC}, volume={645–648},
    DOI={<a href="https://doi.org/10.4028/www.scientific.net/msf.645-648.403">10.4028/www.scientific.net/msf.645-648.403</a>},
    journal={Materials Science Forum}, author={Scholle, Andreas and Greulich-Weber,
    Siegmund and Rauls, Eva and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2010},
    pages={403–406} }'
  chicago: 'Scholle, Andreas, Siegmund Greulich-Weber, Eva Rauls, Wolf Gero Schmidt,
    and Uwe Gerstmann. “Fine Structure of Triplet Centers in Room Temperature Irradiated
    6H-SiC.” <i>Materials Science Forum</i> 645–648 (2010): 403–6. <a href="https://doi.org/10.4028/www.scientific.net/msf.645-648.403">https://doi.org/10.4028/www.scientific.net/msf.645-648.403</a>.'
  ieee: 'A. Scholle, S. Greulich-Weber, E. Rauls, W. G. Schmidt, and U. Gerstmann,
    “Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC,” <i>Materials
    Science Forum</i>, vol. 645–648, pp. 403–406, 2010, doi: <a href="https://doi.org/10.4028/www.scientific.net/msf.645-648.403">10.4028/www.scientific.net/msf.645-648.403</a>.'
  mla: Scholle, Andreas, et al. “Fine Structure of Triplet Centers in Room Temperature
    Irradiated 6H-SiC.” <i>Materials Science Forum</i>, vol. 645–648, 2010, pp. 403–06,
    doi:<a href="https://doi.org/10.4028/www.scientific.net/msf.645-648.403">10.4028/www.scientific.net/msf.645-648.403</a>.
  short: A. Scholle, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Materials
    Science Forum 645–648 (2010) 403–406.
date_created: 2019-10-15T07:44:38Z
date_updated: 2025-12-16T07:45:12Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
doi: 10.4028/www.scientific.net/msf.645-648.403
language:
- iso: eng
page: 403-406
publication: Materials Science Forum
publication_identifier:
  issn:
  - 1662-9752
publication_status: published
status: public
title: Fine Structure of Triplet Centers in Room Temperature Irradiated 6H-SiC
type: journal_article
user_id: '16199'
volume: 645-648
year: '2010'
...
---
_id: '13835'
author:
- first_name: A.
  full_name: Scholle, A.
  last_name: Scholle
- first_name: S.
  full_name: Greulich-Weber, S.
  last_name: Greulich-Weber
- first_name: Donat Josef
  full_name: As, Donat Josef
  id: '14'
  last_name: As
  orcid: 0000-0003-1121-3565
- first_name: Ch.
  full_name: Mietze, Ch.
  last_name: Mietze
- first_name: N. T.
  full_name: Son, N. T.
  last_name: Son
- first_name: C.
  full_name: Hemmingsson, C.
  last_name: Hemmingsson
- first_name: B.
  full_name: Monemar, B.
  last_name: Monemar
- first_name: E.
  full_name: Janzén, E.
  last_name: Janzén
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- 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: Scholle A, Greulich-Weber S, As DJ, et al. Magnetic characterization of conductance
    electrons in GaN. <i>physica status solidi (b)</i>. 2010;247(7):1728-1731. doi:<a
    href="https://doi.org/10.1002/pssb.200983582">10.1002/pssb.200983582</a>
  apa: Scholle, A., Greulich-Weber, S., As, D. J., Mietze, Ch., Son, N. T., Hemmingsson,
    C., Monemar, B., Janzén, E., Gerstmann, U., Sanna, S., Rauls, E., &#38; Schmidt,
    W. G. (2010). Magnetic characterization of conductance electrons in GaN. <i>Physica
    Status Solidi (b)</i>, <i>247</i>(7), 1728–1731. <a href="https://doi.org/10.1002/pssb.200983582">https://doi.org/10.1002/pssb.200983582</a>
  bibtex: '@article{Scholle_Greulich-Weber_As_Mietze_Son_Hemmingsson_Monemar_Janzén_Gerstmann_Sanna_et
    al._2010, title={Magnetic characterization of conductance electrons in GaN}, volume={247},
    DOI={<a href="https://doi.org/10.1002/pssb.200983582">10.1002/pssb.200983582</a>},
    number={7}, journal={physica status solidi (b)}, author={Scholle, A. and Greulich-Weber,
    S. and As, Donat Josef and Mietze, Ch. and Son, N. T. and Hemmingsson, C. and
    Monemar, B. and Janzén, E. and Gerstmann, Uwe and Sanna, S. and et al.}, year={2010},
    pages={1728–1731} }'
  chicago: 'Scholle, A., S. Greulich-Weber, Donat Josef As, Ch. Mietze, N. T. Son,
    C. Hemmingsson, B. Monemar, et al. “Magnetic Characterization of Conductance Electrons
    in GaN.” <i>Physica Status Solidi (b)</i> 247, no. 7 (2010): 1728–31. <a href="https://doi.org/10.1002/pssb.200983582">https://doi.org/10.1002/pssb.200983582</a>.'
  ieee: 'A. Scholle <i>et al.</i>, “Magnetic characterization of conductance electrons
    in GaN,” <i>physica status solidi (b)</i>, vol. 247, no. 7, pp. 1728–1731, 2010,
    doi: <a href="https://doi.org/10.1002/pssb.200983582">10.1002/pssb.200983582</a>.'
  mla: Scholle, A., et al. “Magnetic Characterization of Conductance Electrons in
    GaN.” <i>Physica Status Solidi (b)</i>, vol. 247, no. 7, 2010, pp. 1728–31, doi:<a
    href="https://doi.org/10.1002/pssb.200983582">10.1002/pssb.200983582</a>.
  short: A. Scholle, S. Greulich-Weber, D.J. As, Ch. Mietze, N.T. Son, C. Hemmingsson,
    B. Monemar, E. Janzén, U. Gerstmann, S. Sanna, E. Rauls, W.G. Schmidt, Physica
    Status Solidi (b) 247 (2010) 1728–1731.
date_created: 2019-10-15T07:40:58Z
date_updated: 2025-12-16T07:46:59Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '284'
- _id: '790'
- _id: '35'
- _id: '230'
doi: 10.1002/pssb.200983582
funded_apc: '1'
intvolume: '       247'
issue: '7'
language:
- iso: eng
page: 1728-1731
publication: physica status solidi (b)
publication_identifier:
  issn:
  - 0370-1972
  - 1521-3951
publication_status: published
status: public
title: Magnetic characterization of conductance electrons in GaN
type: journal_article
user_id: '16199'
volume: 247
year: '2010'
...
---
_id: '13583'
author:
- first_name: A.
  full_name: Scholle, A.
  last_name: Scholle
- first_name: S.
  full_name: Greulich-Weber, S.
  last_name: Greulich-Weber
- 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: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: 'Scholle A, Greulich-Weber S, Rauls E, Schmidt WG, Gerstmann U. Vacancy clusters
    created via room temperature irradiation in 6H-SiC. <i>Physica B: Condensed Matter</i>.
    2009;404:4742-4744. doi:<a href="https://doi.org/10.1016/j.physb.2009.08.123">10.1016/j.physb.2009.08.123</a>'
  apa: 'Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., &#38; Gerstmann,
    U. (2009). Vacancy clusters created via room temperature irradiation in 6H-SiC.
    <i>Physica B: Condensed Matter</i>, <i>404</i>, 4742–4744. <a href="https://doi.org/10.1016/j.physb.2009.08.123">https://doi.org/10.1016/j.physb.2009.08.123</a>'
  bibtex: '@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Vacancy
    clusters created via room temperature irradiation in 6H-SiC}, volume={404}, DOI={<a
    href="https://doi.org/10.1016/j.physb.2009.08.123">10.1016/j.physb.2009.08.123</a>},
    journal={Physica B: Condensed Matter}, author={Scholle, A. and Greulich-Weber,
    S. and Rauls, E. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={4742–4744}
    }'
  chicago: 'Scholle, A., S. Greulich-Weber, E. Rauls, Wolf Gero Schmidt, and Uwe Gerstmann.
    “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.” <i>Physica
    B: Condensed Matter</i> 404 (2009): 4742–44. <a href="https://doi.org/10.1016/j.physb.2009.08.123">https://doi.org/10.1016/j.physb.2009.08.123</a>.'
  ieee: 'A. Scholle, S. Greulich-Weber, E. Rauls, W. G. Schmidt, and U. Gerstmann,
    “Vacancy clusters created via room temperature irradiation in 6H-SiC,” <i>Physica
    B: Condensed Matter</i>, vol. 404, pp. 4742–4744, 2009, doi: <a href="https://doi.org/10.1016/j.physb.2009.08.123">10.1016/j.physb.2009.08.123</a>.'
  mla: 'Scholle, A., et al. “Vacancy Clusters Created via Room Temperature Irradiation
    in 6H-SiC.” <i>Physica B: Condensed Matter</i>, vol. 404, 2009, pp. 4742–44, doi:<a
    href="https://doi.org/10.1016/j.physb.2009.08.123">10.1016/j.physb.2009.08.123</a>.'
  short: 'A. Scholle, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Physica
    B: Condensed Matter 404 (2009) 4742–4744.'
date_created: 2019-10-01T14:39:39Z
date_updated: 2025-12-05T10:52:14Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '27'
- _id: '230'
doi: 10.1016/j.physb.2009.08.123
intvolume: '       404'
language:
- iso: eng
page: 4742-4744
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Physica B: Condensed Matter'
publication_identifier:
  issn:
  - 0921-4526
publication_status: published
status: public
title: Vacancy clusters created via room temperature irradiation in 6H-SiC
type: journal_article
user_id: '16199'
volume: 404
year: '2009'
...
---
_id: '13657'
author:
- 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
- first_name: Th.
  full_name: Frauenheim, Th.
  last_name: Frauenheim
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: 'Sanna S, Schmidt WG, Frauenheim Th, Gerstmann U. Rare-earth defect pairs in
    GaN: LDA+U calculations. <i>Physical Review B</i>. 2009;80(10). doi:<a href="https://doi.org/10.1103/physrevb.80.104120">10.1103/physrevb.80.104120</a>'
  apa: 'Sanna, S., Schmidt, W. G., Frauenheim, Th., &#38; Gerstmann, U. (2009). Rare-earth
    defect pairs in GaN: LDA+U calculations. <i>Physical Review B</i>, <i>80</i>(10).
    <a href="https://doi.org/10.1103/physrevb.80.104120">https://doi.org/10.1103/physrevb.80.104120</a>'
  bibtex: '@article{Sanna_Schmidt_Frauenheim_Gerstmann_2009, title={Rare-earth defect
    pairs in GaN: LDA+U calculations}, volume={80}, DOI={<a href="https://doi.org/10.1103/physrevb.80.104120">10.1103/physrevb.80.104120</a>},
    number={10}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf
    Gero and Frauenheim, Th. and Gerstmann, Uwe}, year={2009} }'
  chicago: 'Sanna, Simone, Wolf Gero Schmidt, Th. Frauenheim, and Uwe Gerstmann. “Rare-Earth
    Defect Pairs in GaN: LDA+U Calculations.” <i>Physical Review B</i> 80, no. 10
    (2009). <a href="https://doi.org/10.1103/physrevb.80.104120">https://doi.org/10.1103/physrevb.80.104120</a>.'
  ieee: 'S. Sanna, W. G. Schmidt, Th. Frauenheim, and U. Gerstmann, “Rare-earth defect
    pairs in GaN: LDA+U calculations,” <i>Physical Review B</i>, vol. 80, no. 10,
    2009, doi: <a href="https://doi.org/10.1103/physrevb.80.104120">10.1103/physrevb.80.104120</a>.'
  mla: 'Sanna, Simone, et al. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.”
    <i>Physical Review B</i>, vol. 80, no. 10, 2009, doi:<a href="https://doi.org/10.1103/physrevb.80.104120">10.1103/physrevb.80.104120</a>.'
  short: S. Sanna, W.G. Schmidt, Th. Frauenheim, U. Gerstmann, Physical Review B 80
    (2009).
date_created: 2019-10-09T09:02:12Z
date_updated: 2025-12-05T13:13:04Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.80.104120
intvolume: '        80'
issue: '10'
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: 'Rare-earth defect pairs in GaN: LDA+U calculations'
type: journal_article
user_id: '16199'
volume: 80
year: '2009'
...
---
_id: '13802'
article_number: '395502'
author:
- first_name: Paolo
  full_name: Giannozzi, Paolo
  last_name: Giannozzi
- first_name: Stefano
  full_name: Baroni, Stefano
  last_name: Baroni
- first_name: Nicola
  full_name: Bonini, Nicola
  last_name: Bonini
- first_name: Matteo
  full_name: Calandra, Matteo
  last_name: Calandra
- first_name: Roberto
  full_name: Car, Roberto
  last_name: Car
- first_name: Carlo
  full_name: Cavazzoni, Carlo
  last_name: Cavazzoni
- first_name: Davide
  full_name: Ceresoli, Davide
  last_name: Ceresoli
- first_name: Guido L
  full_name: Chiarotti, Guido L
  last_name: Chiarotti
- first_name: Matteo
  full_name: Cococcioni, Matteo
  last_name: Cococcioni
- first_name: Ismaila
  full_name: Dabo, Ismaila
  last_name: Dabo
- first_name: Andrea
  full_name: Dal Corso, Andrea
  last_name: Dal Corso
- first_name: Stefano
  full_name: de Gironcoli, Stefano
  last_name: de Gironcoli
- first_name: Stefano
  full_name: Fabris, Stefano
  last_name: Fabris
- first_name: Guido
  full_name: Fratesi, Guido
  last_name: Fratesi
- first_name: Ralph
  full_name: Gebauer, Ralph
  last_name: Gebauer
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Christos
  full_name: Gougoussis, Christos
  last_name: Gougoussis
- first_name: Anton
  full_name: Kokalj, Anton
  last_name: Kokalj
- first_name: Michele
  full_name: Lazzeri, Michele
  last_name: Lazzeri
- first_name: Layla
  full_name: Martin-Samos, Layla
  last_name: Martin-Samos
- first_name: Nicola
  full_name: Marzari, Nicola
  last_name: Marzari
- first_name: Francesco
  full_name: Mauri, Francesco
  last_name: Mauri
- first_name: Riccardo
  full_name: Mazzarello, Riccardo
  last_name: Mazzarello
- first_name: Stefano
  full_name: Paolini, Stefano
  last_name: Paolini
- first_name: Alfredo
  full_name: Pasquarello, Alfredo
  last_name: Pasquarello
- first_name: Lorenzo
  full_name: Paulatto, Lorenzo
  last_name: Paulatto
- first_name: Carlo
  full_name: Sbraccia, Carlo
  last_name: Sbraccia
- first_name: Sandro
  full_name: Scandolo, Sandro
  last_name: Scandolo
- first_name: Gabriele
  full_name: Sclauzero, Gabriele
  last_name: Sclauzero
- first_name: Ari P
  full_name: Seitsonen, Ari P
  last_name: Seitsonen
- first_name: Alexander
  full_name: Smogunov, Alexander
  last_name: Smogunov
- first_name: Paolo
  full_name: Umari, Paolo
  last_name: Umari
- first_name: Renata M
  full_name: Wentzcovitch, Renata M
  last_name: Wentzcovitch
citation:
  ama: 'Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source
    software project for quantum simulations of materials. <i>Journal of Physics:
    Condensed Matter</i>. 2009;21(39). doi:<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>'
  apa: 'Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C.,
    Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., Dal Corso, A., de Gironcoli,
    S., Fabris, S., Fratesi, G., Gebauer, R., Gerstmann, U., Gougoussis, C., Kokalj,
    A., Lazzeri, M., … Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and
    open-source software project for quantum simulations of materials. <i>Journal
    of Physics: Condensed Matter</i>, <i>21</i>(39), Article 395502. <a href="https://doi.org/10.1088/0953-8984/21/39/395502">https://doi.org/10.1088/0953-8984/21/39/395502</a>'
  bibtex: '@article{Giannozzi_Baroni_Bonini_Calandra_Car_Cavazzoni_Ceresoli_Chiarotti_Cococcioni_Dabo_et
    al._2009, title={QUANTUM ESPRESSO: a modular and open-source software project
    for quantum simulations of materials}, volume={21}, DOI={<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>},
    number={39395502}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi,
    Paolo and Baroni, Stefano and Bonini, Nicola and Calandra, Matteo and Car, Roberto
    and Cavazzoni, Carlo and Ceresoli, Davide and Chiarotti, Guido L and Cococcioni,
    Matteo and Dabo, Ismaila and et al.}, year={2009} }'
  chicago: 'Giannozzi, Paolo, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto
    Car, Carlo Cavazzoni, Davide Ceresoli, et al. “QUANTUM ESPRESSO: A Modular and
    Open-Source Software Project for Quantum Simulations of Materials.” <i>Journal
    of Physics: Condensed Matter</i> 21, no. 39 (2009). <a href="https://doi.org/10.1088/0953-8984/21/39/395502">https://doi.org/10.1088/0953-8984/21/39/395502</a>.'
  ieee: 'P. Giannozzi <i>et al.</i>, “QUANTUM ESPRESSO: a modular and open-source
    software project for quantum simulations of materials,” <i>Journal of Physics:
    Condensed Matter</i>, vol. 21, no. 39, Art. no. 395502, 2009, doi: <a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>.'
  mla: 'Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software
    Project for Quantum Simulations of Materials.” <i>Journal of Physics: Condensed
    Matter</i>, vol. 21, no. 39, 395502, 2009, doi:<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>.'
  short: 'P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D.
    Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli,
    S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M.
    Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A.
    Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen,
    A. Smogunov, P. Umari, R.M. Wentzcovitch, Journal of Physics: Condensed Matter
    21 (2009).'
date_created: 2019-10-11T10:42:39Z
date_updated: 2025-12-16T07:42:40Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '27'
doi: 10.1088/0953-8984/21/39/395502
funded_apc: '1'
intvolume: '        21'
issue: '39'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
  issn:
  - 0953-8984
  - 1361-648X
publication_status: published
status: public
title: 'QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations
  of materials'
type: journal_article
user_id: '16199'
volume: 21
year: '2009'
...
---
_id: '13844'
abstract:
- lang: eng
  text: <jats:p>EPR and ESE in nitrogen doped 4H- and 6H-SiC show besides the well
    known triplet lines of 14N on quasi-cubic (Nc,k) and hexagonal (Nc,h) sites additional
    lines (Nx) of comparatively low intensity providing half the hf splitting of Nc,k.
    Frequently re-interpreted as spin-forbid¬den lines, arising from Nc,k pairs and
    triads or resulting from hopping conductivity, only re¬cent¬ly the theoretical
    calculation of the corresponding g-tensors lead to a tentative model of distant
    NC donor pairs on inequivalent lattice sites which are coupled to S = 1 assuming
    a fine-struc¬ture splitting too small to be observed in the EPR and ESE experiments.
    In this work, we pre¬sent ESE nutation measurements confirming S = 1 for the Nx
    center. Analysing the nutation frequencies in comparison with that of the Nc,k
    (S = 1/2) spectrum as well as the line width of ESE and EPR spectra we obtain
    a rough estimate between 5104 cm-1 and 50104 cm-1 for the fine-structure splitting
    demonstrating efficient spin-coupling between nitrogen donors in 4H-SiC.</jats:p>
author:
- first_name: D.V.
  full_name: Savchenko, D.V.
  last_name: Savchenko
- first_name: Andreas
  full_name: Pöppl, Andreas
  last_name: Pöppl
- first_name: Ekaterina N.
  full_name: Kalabukhova, Ekaterina N.
  last_name: Kalabukhova
- first_name: Siegmund
  full_name: Greulich-Weber, Siegmund
  last_name: Greulich-Weber
- 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: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: Savchenko DV, Pöppl A, Kalabukhova EN, et al. Spin-Coupling in Heavily Nitrogen-Doped
    4H-SiC. <i>Materials Science Forum</i>. 2009;615-617:343-346. doi:<a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">10.4028/www.scientific.net/msf.615-617.343</a>
  apa: Savchenko, D. V., Pöppl, A., Kalabukhova, E. N., Greulich-Weber, S., Rauls,
    E., Schmidt, W. G., &#38; Gerstmann, U. (2009). Spin-Coupling in Heavily Nitrogen-Doped
    4H-SiC. <i>Materials Science Forum</i>, <i>615–617</i>, 343–346. <a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">https://doi.org/10.4028/www.scientific.net/msf.615-617.343</a>
  bibtex: '@article{Savchenko_Pöppl_Kalabukhova_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009,
    title={Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC}, volume={615–617}, DOI={<a
    href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">10.4028/www.scientific.net/msf.615-617.343</a>},
    journal={Materials Science Forum}, author={Savchenko, D.V. and Pöppl, Andreas
    and Kalabukhova, Ekaterina N. and Greulich-Weber, Siegmund and Rauls, Eva and
    Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={343–346} }'
  chicago: 'Savchenko, D.V., Andreas Pöppl, Ekaterina N. Kalabukhova, Siegmund Greulich-Weber,
    Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin-Coupling in Heavily Nitrogen-Doped
    4H-SiC.” <i>Materials Science Forum</i> 615–617 (2009): 343–46. <a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">https://doi.org/10.4028/www.scientific.net/msf.615-617.343</a>.'
  ieee: 'D. V. Savchenko <i>et al.</i>, “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC,”
    <i>Materials Science Forum</i>, vol. 615–617, pp. 343–346, 2009, doi: <a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">10.4028/www.scientific.net/msf.615-617.343</a>.'
  mla: Savchenko, D. V., et al. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.”
    <i>Materials Science Forum</i>, vol. 615–617, 2009, pp. 343–46, doi:<a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">10.4028/www.scientific.net/msf.615-617.343</a>.
  short: D.V. Savchenko, A. Pöppl, E.N. Kalabukhova, S. Greulich-Weber, E. Rauls,
    W.G. Schmidt, U. Gerstmann, Materials Science Forum 615–617 (2009) 343–346.
date_created: 2019-10-15T07:58:04Z
date_updated: 2025-12-16T07:42:04Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
doi: 10.4028/www.scientific.net/msf.615-617.343
funded_apc: '1'
language:
- iso: eng
page: 343-346
publication: Materials Science Forum
publication_identifier:
  issn:
  - 1662-9752
publication_status: published
status: public
title: Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC
type: journal_article
user_id: '16199'
volume: 615-617
year: '2009'
...
