Bulk electronic structure of K Van Benthem, C Elsässer, RH French
Journal of applied physics 90 (12), 6156-6164, 2001
1194 2001 Ab initio Force-Constant Method for Phonon Dispersions in Alkali MetalsW Frank, C Elsässer, M Fähnle
Physical review letters 74 (10), 1791, 1995
283 1995 Lithium Ion Conduction in LiTi2 (PO4 )3 and Related Compounds Based on the NASICON Structure: A First-Principles Study B Lang, B Ziebarth, C Elsässer
Chemistry of Materials 27 (14), 5040-5048, 2015
253 2015 Use of gradient-corrected functionals in total-energy calculations for solids A García, C Elsässer, J Zhu, SG Louie, ML Cohen
Physical Review B 46 (15), 9829, 1992
205 1992 FORTRAN 90 program for mixed-basis-pseudopotential calculations for crystals B Meyer, C Elsässer, F Lechermann, M Fähnle
Max-Planck-Institut für Metallforschung, Stuttgart (unpublished), 1998
189 1998 First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel D Di Stefano, M Mrovec, C Elsässer
Acta Materialia 98, 306-312, 2015
178 2015 First-principles investigation of hydrogen interaction with TiC precipitates in D Di Stefano, R Nazarov, T Hickel, J Neugebauer, M Mrovec, C Elsässer
Physical Review B 93 (18), 184108, 2016
169 2016 Concentrations of Atomic Defects in B2Fex 1−x . An Ab‐Initio Study J Mayer, C Elsässer, M Fähnle
physica status solidi (b) 191 (2), 283-298, 1995
169 1995 Density-functional energies and forces with Gaussian-broadened fractional occupations C Elsässer, M Fähnle, CT Chan, KM Ho
Physical Review B 49 (19), 13975, 1994
169 1994 First-principles density functional theory study of native point defects in Bi A Hashibon, C Elsässer
Physical Review B—Condensed Matter and Materials Physics 84 (14), 144117, 2011
162 2011 Bond-order potential for simulations of extended defects in tungsten M Mrovec, R Gröger, AG Bailey, D Nguyen-Manh, C Elsässer, V Vitek
Physical Review B—Condensed Matter and Materials Physics 75 (10), 104119, 2007
156 2007 Lithium diffusion in the spinel phase B Ziebarth, M Klinsmann, T Eckl, C Elsässer
Physical Review B 89 (17), 174301, 2014
143 2014 Density-functional study of F Lechermann, F Welsch, C Elsässer, C Ederer, M Fähnle, JM Sanchez, ...
Physical Review B 65 (13), 132104, 2002
142 2002 Magnetic bond-order potential for iron M Mrovec, D Nguyen-Manh, C Elsässer, P Gumbsch
Physical review letters 106 (24), 246402, 2011
122 2011 Wurtzite ScAlN, InAlN, and GaAlN crystals, a comparison of structural, elastic, dielectric, and piezoelectric properties O Ambacher, B Christian, N Feil, DF Urban, C Elsässer, M Prescher, ...
Journal of Applied Physics 130 (4), 2021
111 2021 Origin of subgap states in amorphous In-Ga-Zn-O W Körner, DF Urban, C Elsässer
Journal of Applied Physics 114 (16), 2013
111 2013 Structure, stability, and electronic properties of JM Albina, M Mrovec, B Meyer, C Elsässer
Physical Review B—Condensed Matter and Materials Physics 76 (16), 165103, 2007
108 2007 Schottky barriers at transition-metal/ M Mrovec, JM Albina, B Meyer, C Elsässer
Physical Review B—Condensed Matter and Materials Physics 79 (24), 245121, 2009
97 2009 Ab initio study of surface stress response to charging Y Umeno, C Elsässer, B Meyer, P Gumbsch, M Nothacker, J Weißmüller, ...
Europhysics Letters 78 (1), 13001, 2007
97 2007 Theoretical screening of intermetallic ThMn12 -type phases for new hard-magnetic compounds with low rare earth content W Körner, G Krugel, C Elsässer
Scientific reports 6 (1), 24686, 2016
95 2016 