---
_id: '57954'
article_number: '120326'
author:
- first_name: Florian
  full_name: Hengsbach, Florian
  last_name: Hengsbach
- first_name: Julius
  full_name: Bürger, Julius
  last_name: Bürger
- first_name: Anatolii
  full_name: Andreiev, Anatolii
  last_name: Andreiev
- first_name: Krista
  full_name: Biggs, Krista
  last_name: Biggs
- first_name: Jörg
  full_name: Fischer-Bühner, Jörg
  last_name: Fischer-Bühner
- first_name: Jörg K.N
  full_name: Lindner, Jörg K.N
  last_name: Lindner
- first_name: Kay-Peter
  full_name: Hoyer, Kay-Peter
  last_name: Hoyer
- first_name: Gregory B.
  full_name: Olson, Gregory B.
  last_name: Olson
- first_name: Mirko
  full_name: Schaper, Mirko
  last_name: Schaper
citation:
  ama: Hengsbach F, Bürger J, Andreiev A, et al. Die steel design for additive manufacturing.
    <i>Acta Materialia</i>. 2024;284. doi:<a href="https://doi.org/10.1016/j.actamat.2024.120326">10.1016/j.actamat.2024.120326</a>
  apa: Hengsbach, F., Bürger, J., Andreiev, A., Biggs, K., Fischer-Bühner, J., Lindner,
    J. K. N., Hoyer, K.-P., Olson, G. B., &#38; Schaper, M. (2024). Die steel design
    for additive manufacturing. <i>Acta Materialia</i>, <i>284</i>, Article 120326.
    <a href="https://doi.org/10.1016/j.actamat.2024.120326">https://doi.org/10.1016/j.actamat.2024.120326</a>
  bibtex: '@article{Hengsbach_Bürger_Andreiev_Biggs_Fischer-Bühner_Lindner_Hoyer_Olson_Schaper_2024,
    title={Die steel design for additive manufacturing}, volume={284}, DOI={<a href="https://doi.org/10.1016/j.actamat.2024.120326">10.1016/j.actamat.2024.120326</a>},
    number={120326}, journal={Acta Materialia}, publisher={Elsevier BV}, author={Hengsbach,
    Florian and Bürger, Julius and Andreiev, Anatolii and Biggs, Krista and Fischer-Bühner,
    Jörg and Lindner, Jörg K.N and Hoyer, Kay-Peter and Olson, Gregory B. and Schaper,
    Mirko}, year={2024} }'
  chicago: Hengsbach, Florian, Julius Bürger, Anatolii Andreiev, Krista Biggs, Jörg
    Fischer-Bühner, Jörg K.N Lindner, Kay-Peter Hoyer, Gregory B. Olson, and Mirko
    Schaper. “Die Steel Design for Additive Manufacturing.” <i>Acta Materialia</i>
    284 (2024). <a href="https://doi.org/10.1016/j.actamat.2024.120326">https://doi.org/10.1016/j.actamat.2024.120326</a>.
  ieee: 'F. Hengsbach <i>et al.</i>, “Die steel design for additive manufacturing,”
    <i>Acta Materialia</i>, vol. 284, Art. no. 120326, 2024, doi: <a href="https://doi.org/10.1016/j.actamat.2024.120326">10.1016/j.actamat.2024.120326</a>.'
  mla: Hengsbach, Florian, et al. “Die Steel Design for Additive Manufacturing.” <i>Acta
    Materialia</i>, vol. 284, 120326, Elsevier BV, 2024, doi:<a href="https://doi.org/10.1016/j.actamat.2024.120326">10.1016/j.actamat.2024.120326</a>.
  short: F. Hengsbach, J. Bürger, A. Andreiev, K. Biggs, J. Fischer-Bühner, J.K.N.
    Lindner, K.-P. Hoyer, G.B. Olson, M. Schaper, Acta Materialia 284 (2024).
date_created: 2025-01-06T11:31:51Z
date_updated: 2025-01-22T09:06:37Z
department:
- _id: '286'
- _id: '15'
doi: 10.1016/j.actamat.2024.120326
intvolume: '       284'
language:
- iso: eng
publication: Acta Materialia
publication_identifier:
  issn:
  - 1359-6454
publication_status: published
publisher: Elsevier BV
status: public
title: Die steel design for additive manufacturing
type: journal_article
user_id: '77496'
volume: 284
year: '2024'
...
---
_id: '19823'
abstract:
- lang: eng
  text: 'Individual grains of chalcopyrite solar cell absorbers can facet in different
    crystallographic directions at their surfaces. To gain a deeper understanding
    of the junction formation in these devices, we correlate variations in the surface
    facet orientation with the defect electronic properties. We use a combined analytical
    approach based on scanning tunneling spectroscopy (STS), scanning electron microscopy,
    and electron back scatter diffraction (EBSD), where we perform these experiments
    on identical surface areas as small as 2 × 2 µm2 with a lateral resolution well
    below 50 nm. The topography of the absorber surfaces indicates two main morphological
    features: micro-faceted, long basalt-like columns and their short nano-faceted
    terminations. Our STS results reveal that the long columns exhibit spectral signatures
    typical for the presence of pronounced oxidation-induced surface dipoles in conjunction
    with an increased density of electronic defect levels. In contrast, the nano-faceted
    terminations of the basalt-like columns are largely passivated in terms of electronic
    defect levels within the band gap region. Corresponding crystallographic data
    based on EBSD experiments show that the surface of the basalt-like columns can
    be assigned to intrinsically polar facet orientations, while the passivated terminations
    are assigned to non-polar planes. Ab-initio calculations suggest that the polar
    surfaces are more prone to oxidation and resulting O-induced defects, in comparison
    to non-polar planes. Our results emphasize the correlation between morphology,
    surface facet orientations and surface electronic properties. Furthermore, this
    work aids in gaining a fundamental understanding of oxidation induced lateral
    inhomogeneities in view of the p-n junction formation in chalcopyrite thin-film
    solar cells.'
author:
- first_name: Amala
  full_name: Elizabeth, Amala
  last_name: Elizabeth
- first_name: Hauke
  full_name: Conradi, Hauke
  last_name: Conradi
- first_name: Sudhir
  full_name: K. Sahoo, Sudhir
  last_name: K. Sahoo
- first_name: Tim
  full_name: Kodalle, Tim
  last_name: Kodalle
- first_name: Christian
  full_name: A. Kaufmann, Christian
  last_name: A. Kaufmann
- first_name: Thomas
  full_name: Kühne, Thomas
  id: '49079'
  last_name: Kühne
- first_name: Hossein
  full_name: Mirhosseini, Hossein
  id: '71051'
  last_name: Mirhosseini
  orcid: https://orcid.org/0000-0001-6179-1545
- first_name: Daniel
  full_name: Abou-Ras, Daniel
  last_name: Abou-Ras
- first_name: Harry
  full_name: Mönig, Harry
  last_name: Mönig
citation:
  ama: Elizabeth A, Conradi H, K. Sahoo S, et al. Correlating facet orientation, defect-level
    density and dipole layer formation at the surface of polycrystalline CuInSe2 thin
    films. <i>Acta Materialia</i>. 2020;200. doi:<a href="https://doi.org/10.1016/j.actamat.2020.09.028">https://doi.org/10.1016/j.actamat.2020.09.028</a>
  apa: Elizabeth, A., Conradi, H., K. Sahoo, S., Kodalle, T., A. Kaufmann, C., Kühne,
    T., … Mönig, H. (2020). Correlating facet orientation, defect-level density and
    dipole layer formation at the surface of polycrystalline CuInSe2 thin films. <i>Acta
    Materialia</i>, <i>200</i>. <a href="https://doi.org/10.1016/j.actamat.2020.09.028">https://doi.org/10.1016/j.actamat.2020.09.028</a>
  bibtex: '@article{Elizabeth_Conradi_K. Sahoo_Kodalle_A. Kaufmann_Kühne_Mirhosseini_Abou-Ras_Mönig_2020,
    title={Correlating facet orientation, defect-level density and dipole layer formation
    at the surface of polycrystalline CuInSe2 thin films}, volume={200}, DOI={<a href="https://doi.org/10.1016/j.actamat.2020.09.028">https://doi.org/10.1016/j.actamat.2020.09.028</a>},
    journal={Acta Materialia}, author={Elizabeth, Amala and Conradi, Hauke and K.
    Sahoo, Sudhir and Kodalle, Tim and A. Kaufmann, Christian and Kühne, Thomas and
    Mirhosseini, Hossein and Abou-Ras, Daniel and Mönig, Harry}, year={2020} }'
  chicago: Elizabeth, Amala, Hauke Conradi, Sudhir K. Sahoo, Tim Kodalle, Christian
    A. Kaufmann, Thomas Kühne, Hossein Mirhosseini, Daniel Abou-Ras, and Harry Mönig.
    “Correlating Facet Orientation, Defect-Level Density and Dipole Layer Formation
    at the Surface of Polycrystalline CuInSe2 Thin Films.” <i>Acta Materialia</i>
    200 (2020). <a href="https://doi.org/10.1016/j.actamat.2020.09.028">https://doi.org/10.1016/j.actamat.2020.09.028</a>.
  ieee: A. Elizabeth <i>et al.</i>, “Correlating facet orientation, defect-level density
    and dipole layer formation at the surface of polycrystalline CuInSe2 thin films,”
    <i>Acta Materialia</i>, vol. 200, 2020.
  mla: Elizabeth, Amala, et al. “Correlating Facet Orientation, Defect-Level Density
    and Dipole Layer Formation at the Surface of Polycrystalline CuInSe2 Thin Films.”
    <i>Acta Materialia</i>, vol. 200, 2020, doi:<a href="https://doi.org/10.1016/j.actamat.2020.09.028">https://doi.org/10.1016/j.actamat.2020.09.028</a>.
  short: A. Elizabeth, H. Conradi, S. K. Sahoo, T. Kodalle, C. A. Kaufmann, T. Kühne,
    H. Mirhosseini, D. Abou-Ras, H. Mönig, Acta Materialia 200 (2020).
date_created: 2020-10-01T09:19:55Z
date_updated: 2022-01-06T06:54:13Z
department:
- _id: '613'
doi: https://doi.org/10.1016/j.actamat.2020.09.028
intvolume: '       200'
keyword:
- Chalcopyrite absorber
- Scanning tunneling spectroscopy
- Electron backscatter diffraction
- Density functional theory
- Surface dipole
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Acta Materialia
publication_identifier:
  issn:
  - 1359-6454
status: public
title: Correlating facet orientation, defect-level density and dipole layer formation
  at the surface of polycrystalline CuInSe2 thin films
type: journal_article
user_id: '71692'
volume: 200
year: '2020'
...
---
_id: '20233'
abstract:
- lang: eng
  text: The challenge of designing new tunable nonlinear dielectric materials with
    tailored properties has attracted an increasing amount of interest recently. Herein,
    we study the effective nonlinear dielectric response of a stochastic paraelectric-dielectric
    composite consisting of equilibrium distributions of circular and partially penetrable
    disks (or parallel, infinitely long, identical, partially penetrable, circular
    cylinders) of a dielectric phase randomly dispersed in a continuous matrix of
    a paraelectric phase. The random microstructures were generated using the Metropolis
    Monte Carlo algorithm. The evaluation of the effective permittivity and tunability
    were carried out by employing either a Landau thermodynamic model or its Johnson’s
    approximation to describe the field-dependent permittivity of the paraelectric
    phase and solving continuum-electrostatics equations using finite element calculations.
    We reveal that the percolation threshold in this composite governs the critical
    behavior of the effective permittivity and tunability. For microstructures below
    the percolation threshold, our simulations demonstrate a strong nonlinear behaviour
    of the field-dependent effective permittivity and very high tunability that increases
    as a function of dielectric phase concentration. Above the percolation threshold,
    the effective permittivity shows the tendency to linearization and the tunability
    dramatically drops down. The highly reduced permittivity and extraordinarily high
    tunability are obtained for the composites with dielectric impenetrable disks
    at high concentrations, in which the triggering of the percolation transition
    is avoided. The reported results cast light on distinct nonlinear behaviour of
    2D and 3D stochastic composites and can guide the design of novel composites with
    the controlled morphology and tailored permittivity and tunability.
author:
- first_name: Viktor
  full_name: Myroshnychenko, Viktor
  id: '46371'
  last_name: Myroshnychenko
- first_name: Stanislav
  full_name: Smirnov, Stanislav
  last_name: Smirnov
- first_name: Pious Mathews Mulavarickal
  full_name: Jose, Pious Mathews Mulavarickal
  last_name: Jose
- first_name: Christian
  full_name: Brosseau, Christian
  last_name: Brosseau
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
citation:
  ama: Myroshnychenko V, Smirnov S, Jose PMM, Brosseau C, Förstner J. Nonlinear dielectric
    properties of random paraelectric-dielectric composites. <i>Acta Materialia</i>.
    2020;203:116432. doi:<a href="https://doi.org/10.1016/j.actamat.2020.10.051">10.1016/j.actamat.2020.10.051</a>
  apa: Myroshnychenko, V., Smirnov, S., Jose, P. M. M., Brosseau, C., &#38; Förstner,
    J. (2020). Nonlinear dielectric properties of random paraelectric-dielectric composites.
    <i>Acta Materialia</i>, <i>203</i>, 116432. <a href="https://doi.org/10.1016/j.actamat.2020.10.051">https://doi.org/10.1016/j.actamat.2020.10.051</a>
  bibtex: '@article{Myroshnychenko_Smirnov_Jose_Brosseau_Förstner_2020, title={Nonlinear
    dielectric properties of random paraelectric-dielectric composites}, volume={203},
    DOI={<a href="https://doi.org/10.1016/j.actamat.2020.10.051">10.1016/j.actamat.2020.10.051</a>},
    journal={Acta Materialia}, author={Myroshnychenko, Viktor and Smirnov, Stanislav
    and Jose, Pious Mathews Mulavarickal and Brosseau, Christian and Förstner, Jens},
    year={2020}, pages={116432} }'
  chicago: 'Myroshnychenko, Viktor, Stanislav Smirnov, Pious Mathews Mulavarickal
    Jose, Christian Brosseau, and Jens Förstner. “Nonlinear Dielectric Properties
    of Random Paraelectric-Dielectric Composites.” <i>Acta Materialia</i> 203 (2020):
    116432. <a href="https://doi.org/10.1016/j.actamat.2020.10.051">https://doi.org/10.1016/j.actamat.2020.10.051</a>.'
  ieee: V. Myroshnychenko, S. Smirnov, P. M. M. Jose, C. Brosseau, and J. Förstner,
    “Nonlinear dielectric properties of random paraelectric-dielectric composites,”
    <i>Acta Materialia</i>, vol. 203, p. 116432, 2020.
  mla: Myroshnychenko, Viktor, et al. “Nonlinear Dielectric Properties of Random Paraelectric-Dielectric
    Composites.” <i>Acta Materialia</i>, vol. 203, 2020, p. 116432, doi:<a href="https://doi.org/10.1016/j.actamat.2020.10.051">10.1016/j.actamat.2020.10.051</a>.
  short: V. Myroshnychenko, S. Smirnov, P.M.M. Jose, C. Brosseau, J. Förstner, Acta
    Materialia 203 (2020) 116432.
date_created: 2020-10-30T13:51:42Z
date_updated: 2022-01-06T06:54:24Z
ddc:
- '530'
department:
- _id: '61'
- _id: '230'
doi: 10.1016/j.actamat.2020.10.051
file:
- access_level: open_access
  content_type: application/pdf
  creator: fossie
  date_created: 2020-10-30T13:52:58Z
  date_updated: 2020-10-30T13:52:58Z
  file_id: '20234'
  file_name: 2020-10 Myroshnychenko - Acta Material (accepted preprint)_compressed.pdf
  file_size: 3934721
  relation: main_file
  title: (Accepted Preprint)
file_date_updated: 2020-10-30T13:52:58Z
has_accepted_license: '1'
intvolume: '       203'
language:
- iso: eng
oa: '1'
page: '116432'
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Acta Materialia
publication_identifier:
  issn:
  - 1359-6454
publication_status: published
status: public
title: Nonlinear dielectric properties of random paraelectric-dielectric composites
type: journal_article
user_id: '158'
volume: 203
year: '2020'
...