554 citations · 2.7k across the 31 of their papers we have counts for
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Surface influence on stability and structure of III-V nanorods: First-principles studies
R. Leitsmann, F. Bechstedt
We report ab initio investigations of hexagon-shaped, [111]/[0001] oriented III-V semiconductor nanowires with varying crystal structure, surface passivation, surface orientation,…
GW band structure of InAs and GaAs in the wurtzite phase
Z. Zanolli, F. Fuchs, J. Furthmueller +2
We report the first quasiparticle calculations of the newly observed wurtzite polymorph of InAs and GaAs. The calculations are performed in the GW approximation using plane waves a…
First-principles studies of ground- and excited-state properties of MgO, ZnO, and CdO polymorphs
A. Schleife, F. Fuchs, J. Furthmüller +1
An ab initio pseudopotential method based on density functional theory, generalized gradient corrections to exchange and correlation, and projector-augmented waves is used to inves…
Quasiparticle band structure based on a generalized Kohn-Sham scheme
F. Fuchs, J. Furthmüller, F. Bechstedt +2
We present a comparative full-potential study of generalized Kohn-Sham schemes (gKS) with explicit focus on their suitability as starting point for the solution of the quasiparticl…