535 citations · 2.8k across the 46 of their papers we have counts for
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Theoretical investigation into the possibility of very large moments in Fe16N2
H. Sims, W. H. Butler, M. Richter +4
We examine the mystery of the disputed high-magnetization α"-Fe16N2 phase, employing the Heyd-Scuseria-Ernzerhof screened hybrid functional method, perturbative many-body correctio…
Strength of the Effective Coulomb Interaction at Metal and Insulator Surfaces
Ersoy Sasioglu, Christoph Friedrich, Stefan Blügel
The effective on-site Coulomb interaction (Hubbard ) between localized electrons at crystal surfaces is expected to be enhanced due to the reduced coordination number and reduce…
GW study of the half-metallic Heusler compounds Co2MnSi and Co2FeSi
Markus Meinert, Christoph Friedrich, Günter Reiss +1
Quasiparticle spectra of potentially half-metallic Co2MnSi and Co2FeSi Heusler compounds have been calculated within the one-shot GW approximation in an all-electron framework with…
Evidence for a direct band gap in the topological insulator Bi2Se3 from theory and experiment
I. A. Nechaev, R. C. Hatch, M. Bianchi +8
Using angle-resolved photoelectron spectroscopy and ab-initio GW calculations, we unambiguously show that the widely investigated three-dimensional topological insulator Bi2Se3 has…
Precise response functions in all-electron methods: Application to the optimized-effective-potential approach
Markus Betzinger, Christoph Friedrich, Andreas Görling +1
The optimized-effective-potential (OEP) method is a special technique to construct local Kohn-Sham potentials from general orbital-dependent energy functionals. In a recent publica…