67 citations · 109 across the 4 of their papers we have counts for
4 papers
Correlation Driven Magnetic Frustration and Insulating Behavior of TiF
Gayanath W. Fernando, Donal Sheets, Jason Hancock +2
We investigate the halide perovskite TiF, renowned for its intricate interplay between structure, electronic correlations, magnetism, and thermal expansion. Despite its simple…
Quantitative description of short-range order and its influence on the electronic structure in Ag-Pd alloys
Martin Hoffmann, Alberto Marmodoro, Arthur Ernst +6
We investigate the effect of short-range order (SRO) on the electronic structure in alloys from the theoretical point of view using density of states (DOS) data. In particular, the…
Exchange interaction and its tuning in magnetic binary chalcogenides
M. G. Vergniory, D. Thonig, M. Hoffmann +11
Using a first-principles Green's function approach we study magnetic properties of the magnetic binary chalcogenides Bi2Te3, Bi2Se3, and Sb2Te3. The magnetic coupling between trans…
Onset of Magnetic Order in Strongly-Correlated Systems from ab initio Electronic Structure Calculations: Application to Transition Metal Oxides
I. D. Hughes, M. Daene, A. Ernst +5
We describe an ab initio theory of finite temperature magnetism in strongly-correlated electron systems. The formalism is based on spin density functional theory, with a self-inter…