Prof. Dr. Karsten Albe

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Paul ErhartProfessor of Physics, Chalmers University of TechnologyVerified email at chalmers.se
Alexander StukowskiOVITO GmbH, GermanyVerified email at ovito.org
Kai NordlundProfessor of Physics, University of HelsinkiVerified email at helsinki.fi
Andreas KleinTechnische Universität DarmstadtVerified email at esm.tu-darmstadt.de
Johan PohlEndress + Hauser AGVerified email at endress.com
RS AverbackUniversity of IllinoisVerified email at illinois.edu
Horst HahnKarlsruhe Institute of Technology, Institute of NanotechnologyVerified email at kit.edu
Janne NordElektaVerified email at elekta.com
Daniel ŞopuGroup leader at Erich Schmid Institute of Materials Science of the Austrian Academy of SciencesVerified email at oeaw.ac.at
Bai-Xiang Xu (胥柏香)Professor in Institute of Materials Science, TU Darmstadt, GermanyVerified email at mfm.tu-darmstadt.de
Sabrina SicoloBASF SEVerified email at basf.com
Yang-bin MaTU DarmstadtVerified email at mfm.tu-darmstadt.de
Risto NieminenAalto UniversityVerified email at aalto.fi
Tobias BrinkMax-Planck-Institut für EisenforschungVerified email at mpie.de
Antti KuronenUniversity lecturer, University of HelsinkiVerified email at helsinki.fi
Kai-Christian MeyerPhD, formerly Materials Modelling Division, TU DarmstadtVerified email at mm.tu-darmstadt.de
Yinon AshkenazyProfessor of Physics, Hebrew UniversityVerified email at huji.ac.il
Constanze KalcherTechnische Universität DarmstadtVerified email at mm.tu-darmstadt.de
Daniel Barragan-YaniUniversity of LuxembourgVerified email at uni.lu
Daniel Thomas UttMaterials Modelling Division, TU DarmstadtVerified email at mm.tu-darmstadt.de

Prof. Dr. Karsten Albe

TU Darmstadt

Verified email at mm.tu-darmstadt.de - Homepage

Computational Materials Science


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Extracting dislocations and non-dislocation crystal defects from atomistic simulation data A Stukowski, K Albe Modelling and Simulation in Materials Science and Engineering 18 (8), 085001, 2010	704	2010
First-principles study of intrinsic point defects in ZnO: Role of band structure, volume relaxation, and finite-size effects P Erhart, K Albe, A Klein Physical Review B 73 (20), 205203, 2006	585	2006
Interactions between non-screw lattice dislocations and coherent twin boundaries in face-centered cubic metals ZH Jin, P Gumbsch, K Albe, E Ma, K Lu, H Gleiter, H Hahn Acta Materialia 56 (5), 1126-1135, 2008	465	2008
Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide P Erhart, K Albe Physical Review B 71 (3), 035211, 2005	414	2005
The interaction mechanism of screw dislocations with coherent twin boundaries in different face-centred cubic metals ZH Jin, P Gumbsch, E Ma, K Albe, K Lu, H Hahn, H Gleiter Scripta Materialia 54 (6), 1163-1168, 2006	400	2006
Fundamental degradation mechanisms of layered oxide Li-ion battery cathode materials: Methodology, insights and novel approaches R Hausbrand, G Cherkashinin, H Ehrenberg, M Gröting, K Albe, C Hess, ... Materials Science and Engineering: B 192, 3-25, 2015	337	2015
Intrinsic -Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of , , and ZnO P Ágoston, K Albe, RM Nieminen, MJ Puska Physical review letters 103 (24), 245501, 2009	333	2009
Caloric effects in ferroic materials: new concepts for cooling S Fähler, UK Rößler, O Kastner, J Eckert, G Eggeler, H Emmerich, P Entel, ... Advanced Engineering Materials 14 (1‐2), 10-19, 2012	315	2012
Analytical interatomic potential for modeling nonequilibrium processes in the W–C–H system N Juslin, P Erhart, P Träskelin, J Nord, KOE Henriksson, K Nordlund, ... Journal of applied physics 98 (12), 123520, 2005	289	2005
Modelling of compound semiconductors: analytical bond-order potential for gallium, nitrogen and gallium nitride J Nord, K Albe, P Erhart, K Nordlund Journal of Physics: Condensed Matter 15 (32), 5649, 2003	258	2003
Diffusion of zinc vacancies and interstitials in zinc oxide P Erhart, K Albe Applied physics letters 88 (20), 201918, 2006	245	2006
Mechanisms of aging and fatigue in ferroelectrics YA Genenko, J Glaum, MJ Hoffmann, K Albe Materials Science and Engineering: B 192, 52-82, 2015	232	2015
Band structure of indium oxide: Indirect versus direct band gap P Erhart, A Klein, RG Egdell, K Albe Physical review B 75 (15), 153205, 2007	222	2007
First-principles study of the structure and stability of oxygen defects in zinc oxide P Erhart, A Klein, K Albe Physical Review B 72 (8), 085213, 2005	204	2005
Analytic bond-order potential for bcc and fcc iron—comparison with established embedded-atom method potentials M Müller, P Erhart, K Albe Journal of Physics: Condensed Matter 19 (32), 326220, 2007	192	2007
Modeling of compound semiconductors: Analytical bond-order potential for Ga, As, and GaAs K Albe, K Nordlund, J Nord, A Kuronen Physical Review B 66 (3), 035205, 2002	191	2002
Modeling the metal-semiconductor interaction: Analytical bond-order potential for platinum-carbon K Albe, K Nordlund, RS Averback Physical Review B 65 (19), 195124, 2002	180	2002
Size‐dependent lattice expansion in nanoparticles: reality or anomaly? PM Diehm, P Ágoston, K Albe ChemPhysChem 13 (10), 2443-2454, 2012	170	2012
Molecular-dynamics simulations of steady-state growth of ion-deposited tetrahedral amorphous carbon films HU Jäger, K Albe Journal of applied physics 88 (2), 1129-1135, 2000	170	2000
First-principles study of migration mechanisms and diffusion of oxygen in zinc oxide P Erhart, K Albe Physical Review B 73 (11), 115207, 2006	166	2006

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