554 citations · 1k across the 3 of their papers we have counts for
6 papers
From pseudo-direct hexagonal germanium to direct silicon-germanium alloys
Pedro Borlido, Jens Renè Suckert, Jürgen Furthmüller +3
We present ab initio calculations of the electronic and optical properties of hexagonal SiGe alloys in the lonsdaleite structure. Lattice constants and electronic band structures i…
Efficient strain-induced light emission in lonsdaleite germanium
Jens René Suckert, Claudia Rödl, Jürgen Furthmüller +2
Lonsdaleite germanium has a direct band gap, but it is not an efficient light emitter due to the vanishing oscillator strength of electronic transitions at the fundamental gap. Tra…
Direct Bandgap Emission from Hexagonal Ge and SiGe Alloys
E. M. T. Fadaly, A. Dijkstra, J. R. Suckert +16
Silicon crystallized in the usual cubic (diamond) lattice structure has dominated the electronics industry for more than half a century. However, cubic silicon (Si), germanium (Ge)…
Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interaction
Filipe Matusalem, Lars Matthes, Jürgen Furthmüller +3
The third-rank tensor of the static spin Hall conductivity is investigated for two-dimensional (2D) topological insulators by electronic structure calculations. Its seeming quantiz…
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…