Klaus Koepernik
Leibniz Association
99 Papers
473 Citations
Klaus Koepernik is an academic researcher from Leibniz Association. The author has contributed to research in topics: Density functional theory & Electronic structure. The author has an hindex of 30, co-authored 95 publications. Previous affiliations of Klaus Koepernik include Max Planck Society & Dresden University of Technology.
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Papers
Magnetic phase transition in CoO under high pressure: A challenge for LSDA+U
TL;DR: In this article, the high-spin low-spin transition under pressure in CoO is investigated by the local spin-density approximation plus onsite Coulomb correlation (LSDA+U) approach.
Analysis of the electric field gradient in the perovskites SrTiO3 and BaTiO3: Density functional and model calculations
TL;DR: In this paper, Blinc et al. analyzed the electric field gradient on the oxygen site in the perovskites of the transition metal oxides (SrTiO) and BaTiO), and demonstrated that the counter-intuitive increase in the EFG upon lattice expansion can be explained by an $s\text{\ensuremath{-}}p\text{-µd$ model containing the contribution of the oxygen $2s$ states to the crystal field on the Ti site.
Symmetry-preserving lattice collapse in tetragonal SrFe2−xRuxAs2 (x=0,0.2): A combined experimental and theoretical study
Deepa Kasinathan,M. Schmitt,Klaus Koepernik,Alim Ormeci,Katrin Meier,Ulrich S. Schwarz,Michael Hanfland,Christoph Geibel,Yuri Grin,Andreas Leithe-Jasper,Helge Rosner +10 more
TL;DR: In this article, a joint experimental and theoretical study was conducted to investigate the isostructural collapse from the ambient pressure tetragonal phase to a collapsed tetragonal phase for nonsuperconducting metallic surfaces.
Tight-binding models for the iron-based superconductors
Helmut Eschrig,Klaus Koepernik +1 more
TL;DR: In this article, the bonding situation and the orbital structure of the electronic state are analyzed and minimum tight-binding models quantitatively correctly describing the low-energy electronic structure are provided for the iron-based superconductors.
Correlation between topological band character and chemical bonding in a Bi14Rh3I9-based family of insulators
Bertold Rasche,Anna Isaeva,Michael Ruck,Klaus Koepernik,Klaus Koepernik,Manuel Richter,Manuel Richter,Jeroen van den Brink,Jeroen van den Brink +8 more
TL;DR: A density-functional-theory-based study on a family of TIs derived from the Bi14Rh3I9 parent structure via substitution of Ru, Pd, Os, Ir and Pt for Rh, revealing how the chemical nature of the constituents affects the topological band character.