J. Neugebauer

发表

Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors

Matthias Scheffler, Patrick Rinke, Christoph Freysoldt, 2005, cond-mat/0502404.

Mechanisms and kinetics of the migration of grain boundaries containing extended defects

B. Grabowski, J. Neugebauer, C. Race, 2015 .

Chitin in the Exoskeletons of Arthropoda: From Ancient Design to Novel Materials Science

S. Nikolov, D. Raabe, J. Neugebauer, 2011 .

First-principles study of the thermodynamic and elastic properties of eutectic Fe–Ti alloy

H. Emmerich, J. Eckert, A. Dick, 2012 .

Theory of doping and defects in III–V nitrides

C. Stampfl, C. Walle, J. Neugebauer, 1998, cond-mat/9810385.

Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors

M. Scheffler, P. Rinke, C. Freysoldt, 2005, cond-mat/0502404.

CLEAN AND AS-COVERED ZINC-BLENDE GAN(001) SURFACES : NOVEL SURFACE STRUCTURES AND SURFACTANT BEHAVIOR

M. Scheffler, C. Walle, J. Neugebauer, 1997, cond-mat/9705111.

Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics

M. Scheffler, J. Neugebauer, M. Bockstedte, 1997, cond-mat/9705256.

Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory

M. Scheffler, P. Rinke, A. Qteish, 2006, cond-mat/0610141.

Exact-exchange-based quasiparticle energy calculations for the band gap, effective masses, and deformation potentials of ScN

M. Scheffler, P. Rinke, A. Qteish, 2006, cond-mat/0611435.

Confined chemical and structural states at dislocations in Fe–9wt%Mn steels: A correlative TEM-atom probe study combined with multiscale modelling

M. Herbig, D. Ponge, D. Raabe, 2017 .

Generation and performance of special quasirandom structures for studying the elastic properties of random alloys: Application to Al-Ti

Martin Friák, J. Neugebauer, A. Dick, 2010 .

The structure and dynamics of chitin nanofibrils in an aqueous environment revealed by molecular dynamics simulations

Zora Strelcová, P. Kulhánek, J. Koča, 2016 .

Multiscale simulation of polycrystal mechanics of textured β‐Ti alloys using ab initio and crystal‐based finite element methods

F. Roters, D. Raabe, J. Neugebauer, 2008 .

Aspects of spin-polarized scanning tunneling microscopy at the atomic scale: experiment, theory, and simulation

A. Dick, A. Smith, J. Neugebauer, 2004 .

Recent advances in atomic‐scale spin‐polarized scanning tunneling microscopy

A. Dick, A. Smith, J. Neugebauer, 2005, Microscopy research and technique.

Ab initio Description of Bond Breaking in Large Electric Fields.

C. Freysoldt, J. Neugebauer, M. Ashton, 2020, Physical review letters.

CALIBRATION OF OLYMPUS/DORIS BEAM POSITION MONITORS

R. Neumann, U. Schneekloth, J. Neugebauer, 2014 .

Microstructure and Internal Stresses in the Exoskeleton of a Homarus americanus Lobster

D. Raabe, H. Pinto, A. Pyzalla, 2003 .

Generalized dipole correction for charged surfaces in the repeated-slab approach

C. Freysoldt, J. Neugebauer, M. Ashton, 2020 .