Porz, Lukas ; Klomp, Arne Jan ; Fang, Xufei ; Li, Ning ; Yildirim, Can ; Detlefs, Carsten ; Bruder, Enrico ; Höfling, Marion ; Rheinheimer, Wolfgang ; Patterson, Eric A. ; Gao, Peng ; Durst, Karsten ; Nakamura, Atsutomo ; Albe, Karsten ; Simons, Hugh ; Rödel, Jürgen (2023):
Dislocation-toughened ceramics. (Publisher's Version)
In: Materials Horizons, 8 (5), pp. 1528-1537. Royal Society of Chemistry, e-ISSN 2051-6355,
DOI: 10.26083/tuprints-00023191,
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Erhart, Paul ; Klein, Andreas ; Egdell, Russell G. ; Albe, Karsten (2022):
Band structure of indium oxide: Indirect versus direct band gap. (Publisher's Version)
In: Physical Review B, 75 (15), American Physical Society, ISSN 2469-9950, e-ISSN 2469-9969,
DOI: 10.26083/tuprints-00021099,
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Albe, Karsten ; Klein, Andreas (2022):
Density-functional-theory calculations of electronic band structure of single-crystal and single-layer WS₂. (Publisher's Version)
In: Physical Review B, 66 (7), American Physical Society, ISSN 2469-9950, e-ISSN 2469-9969,
DOI: 10.26083/tuprints-00021098,
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Erhart, Paul ; Albe, Karsten ; Klein, Andreas (2022):
First-principles study of intrinsic point defects in ZnO: Role of band structure, volume relaxation, and finite-size effects. (Publisher's Version)
In: Physical Review B, 73 (20), American Physical Society, ISSN 2469-9950, e-ISSN 2469-9969,
DOI: 10.26083/tuprints-00021169,
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Erhart, Paul ; Klein, Andreas ; Albe, Karsten (2022):
First-principles study of the structure and stability of oxygen defects in zinc oxide. (Publisher's Version)
In: Physical Review B, 72 (8), American Physical Society, ISSN 2469-9950, e-ISSN 2469-9969,
DOI: 10.26083/tuprints-00021170,
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Li, Shunyi ; Morasch, Jan ; Klein, Andreas ; Chirila, Christina ; Pintilie, Lucian ; Jia, Lichao ; Ellmer, Klaus ; Naderer, Michael ; Reichmann, Klaus ; Gröting, Melanie ; Albe, Karsten (2022):
Influence of orbital contributions to the valence band alignment of Bi2O3, Fe2O3, BiFeO3, and Bi0.5Na0.5TiO3. (Publisher's Version)
In: Physical Review B, 88 (4), American Physical Society, ISSN 2469-9950, e-ISSN 2469-9969,
DOI: 10.26083/tuprints-00021171,
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Pohl, Johan ; Klein, Andreas ; Albe, Karsten (2022):
Role of copper interstitials in CuInSe₂: First-principles calculations. (Publisher's Version)
In: Physical Review B, 84 (12), American Physical Society, ISSN 2469-9950, e-ISSN 2469-9969,
DOI: 10.26083/tuprints-00021179,
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Erhard, Linus C. ; Rohrer, Jochen ; Albe, Karsten ; Deringer, Volker L. (2022):
A machine-learned interatomic potential for silica and its relation to empirical models. (Publisher's Version)
In: npj Computational Materials, 8, Springer, e-ISSN 2057-3960,
DOI: 10.26083/tuprints-00021424,
[Article]

Kalcher, Constanze ; Adjaoud, Omar ; Albe, Karsten (2021):
Creep Deformation of a Cu-Zr Nanoglass and Interface Reinforced Nanoglass-Composite Studied by Molecular Dynamics Simulations. (Publisher's Version)
In: Frontiers in Materials, 7, Frontiers, ISSN 2296-8016,
DOI: 10.26083/tuprints-00018634,
[Article]

Ágoston, Péter ; Körber, Christoph ; Klein, Andreas ; Puska, Martti J. ; Nieminen, Risto M. ; Albe, Karsten (2021):
Limits for n-type doping in In₂O₃ and SnO₂: A theoretical approach by first-principles calculations using hybrid-functional methodology. (Publisher's Version)
In: Journal of Applied Physics, 108 (5), AIP Publishing, ISSN 0021-8979, e-ISSN 1089-7550,
DOI: 10.26083/tuprints-00019925,
[Article]

Adjaoud, Omar ; Albe, Karsten (2021):
Mechanical Properties of Glassy Nanopillars: A Comparative, Computational Study of Size Effects in Nanoglasses and Homogeneous Bulk Glasses. (Publisher's Version)
In: Frontiers in Materials, 7, Frontiers, e-ISSN 2296-8016,
DOI: 10.26083/tuprints-00019291,
[Article]

Adjaoud, Omar ; Albe, Karsten (2021):
Nanoindentation of Nanoglasses Tested by Molecular Dynamics Simulations: Influence of Structural Relaxation and Chemical Segregation on the Mechanical Response. (Publisher's Version)
In: Frontiers in Materials, 8, Frontiers, e-ISSN 2296-8016,
DOI: 10.26083/tuprints-00019353,
[Article]

Gassmann, Andrea ; Yampolskii, Sergey V. ; Klein, Andreas ; Albe, Karsten ; Vilbrandt, Nicole ; Pekkola, Oili ; Genenko, Yuri A. ; Rehahn, Matthias ; Seggern, Heinz von (2021):
Study of electrical fatigue by defect engineering in organic light-emitting diodes. (Publisher's Version)
In: Materials Science and Engineering: B, 192, pp. 26-51. Elsevier, ISSN 0921-5107,
DOI: 10.26083/tuprints-00019785,
[Article]