Christoph Freysoldt

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Jörg NeugebauerDirector, Max-Planck-Institut für EisenforschungGeverifieerd e-mailadres voor mpie.de
Chris G. Van de WalleProfessor of Materials, University of California, Santa BarbaraGeverifieerd e-mailadres voor mrl.ucsb.edu
Baptiste GaultMax-Planck Institute für Eisenforschung Gmbh, DüsseldorfGeverifieerd e-mailadres voor mpie.de
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-Gesellschaft and IRIS-Adlershof of HU BerlinGeverifieerd e-mailadres voor fhi-berlin.mpg.de
Richard G. HennigUniversity of FloridaGeverifieerd e-mailadres voor ufl.edu
Liverios LymperakisDepartment of Physics, University of CreteGeverifieerd e-mailadres voor physics.uoc.gr

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Christoph Freysoldt

Max-Planck-Institut für Eisenforschung GmbH

Geverifieerd e-mailadres voor mpie.de - Homepage

electronic structure theory point defects electrified surfaces


Titel Sorteren op citaties Sorteren op jaar Sorteren op titel	Geciteerd door Geciteerd door	Jaar
First-principles calculations for point defects in solids C Freysoldt, B Grabowski, T Hickel, J Neugebauer, G Kresse, A Janotti, ... Reviews of modern physics 86 (1), 253, 2014	2437	2014
Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations C Freysoldt, J Neugebauer, CG Van de Walle Physical review letters 102 (1), 016402, 2009	1400	2009
Electrostatic interactions between charged defects in supercells C Freysoldt, J Neugebauer, CG Van de Walle physica status solidi (b) 248 (5), 1067-1076, 2011	506	2011
Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors P Rinke, A Qteish, J Neugebauer, C Freysoldt, M Scheffler New Journal of physics 7 (1), 126, 2005	369	2005
Atom probe tomography B Gault, A Chiaramonti, O Cojocaru-Mirédin, P Stender, R Dubosq, ... Nature Reviews Methods Primers 1 (1), 51, 2021	222	2021
Advances in density-functional calculations for materials modeling RJ Maurer, C Freysoldt, AM Reilly, JG Brandenburg, OT Hofmann, ... Annual Review of Materials Research 49, 1-30, 2019	112	2019
The object-oriented DFT program library S/PHI/nX S Boeck, C Freysoldt, A Dick, L Ismer, J Neugebauer Computer Physics Communications 182 (3), 543-554, 2011	98	2011
Ab initio vibrational free energies including anharmonicity for multicomponent alloys B Grabowski, Y Ikeda, P Srinivasan, F Körmann, C Freysoldt, AI Duff, ... npj computational materials 5 (1), 80, 2019	93	2019
First-principles calculations for charged defects at surfaces, interfaces, and two-dimensional materials in the presence of electric fields C Freysoldt, J Neugebauer Physical Review B 97 (20), 205425, 2018	93	2018
Accurate electronic free energies of the , and transition metals at high temperatures X Zhang, B Grabowski, F Körmann, C Freysoldt, J Neugebauer Physical Review B 95 (16), 165126, 2017	91	2017
Screening in two dimensions: calculations for surfaces and thin films using the repeated-slab approach C Freysoldt, P Eggert, P Rinke, A Schindlmayr, M Scheffler Physical Review B 77 (23), 235428, 2008	89	2008
Controlling polarization at insulating surfaces: Quasiparticle calculations for molecules adsorbed on insulator films C Freysoldt, P Rinke, M Scheffler Physical review letters 103 (5), 056803, 2009	82	2009
Direct minimization technique for metals in density functional theory C Freysoldt, S Boeck, J Neugebauer Physical Review B 79 (24), 241103, 2009	72	2009
Ultrathin oxides: bulk-oxide-like model surfaces or unique films? C Freysoldt, P Rinke, M Scheffler Physical review letters 99 (8), 086101, 2007	71	2007
Electron and chemical reservoir corrections for point-defect formation energies C Freysoldt, B Lange, J Neugebauer, Q Yan, JL Lyons, A Janotti, ... Physical Review B 93 (16), 165206, 2016	57	2016
Dielectric anisotropy in the GW space–time method C Freysoldt, P Eggert, P Rinke, A Schindlmayr, RW Godby, M Scheffler Computer physics communications 176 (1), 1-13, 2007	57	2007
Elastically frustrated rehybridization: Origin of chemical order and compositional limits in InGaN quantum wells L Lymperakis, T Schulz, C Freysoldt, M Anikeeva, Z Chen, X Zheng, ... Physical Review Materials 2 (1), 011601, 2018	56	2018
Cover Picture: Discovery of Elusive K₄O₆, a Compound Stabilized by Configurational Entropy of Polarons (Angew. Chem. Int. Ed. 1/2019) C Freysoldt, P Merz, M Schmidt, S Mohitkar, C Felser, J Neugebauer, ... Angewandte Chemie International Edition 58 (1), 1-1, 2019	55	2019
Dielectric properties of nanoconfined water: A canonical thermopotentiostat approach F Deißenbeck, C Freysoldt, M Todorova, J Neugebauer, S Wippermann Physical Review Letters 126 (13), 136803, 2021	53	2021
A generalized plane-wave formulation of k· p formalism and continuum-elasticity approach to elastic and electronic properties of semiconductor nanostructures O Marquardt, S Boeck, C Freysoldt, T Hickel, S Schulz, J Neugebauer, ... Computational materials science 95, 280-287, 2014	47	2014

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