1996 · Physical review. B, Condensed matter
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
124,028 citationsRead
Most cited
215 papers in total1996 · Computational Materials Science
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
76,336 citationsRead
2006 · Physical Review B
Linear optical properties in the projector-augmented wave methodology
3,523 citationsRead
1995 · Europhysics Letters (EPL)
Ab initio Force Constant Approach to Phonon Dispersion Relations of Diamond and Graphite
814 citationsRead
1994 · Physical review. B, Condensed matter
Theory of the crystal structures of selenium and tellurium: The effect of generalized-gradient corrections to the local-density approximation
583 citationsRead
2007 · Physical Review B
Quasiparticle band structure based on a generalized Kohn-Sham scheme
557 citationsRead
Newest first
215 papers in total2025
- Influence of spin-orbit interaction and self-consistency on quasiparticle electronic structure and exciton optical spectra beyond Tamm-Dancoff: The case of BaF 2 and SrF 2Physical review. B./Physical review. B · 2 citations
- Hexagonal Ge / Si 0.25 Ge 0.75 quantum wells: Prediction of quantization and light-emission strengthPhysical review. B./Physical review. B · 2 citations
2023
- First-principles insight in structure-property relationships of hexagonal Si and Ge polytypesPhysical Review Materials · 12 citations
- Electronic and Optical Properties of Alkaline Earth Metal Fluoride Crystals with the Inclusion of Many-Body Effects: A Comparative Study on Rutile MgF2 and Cubic SrF2Symmetry · 12 citations
2021
- Efficient strain-induced light emission in lonsdaleite germaniumPhysical Review Materials · 30 citations
- From pseudo-direct hexagonal germanium to direct silicon-germanium alloysPhysical Review Materials · 3 citations
2020
- Direct-bandgap emission from hexagonal Ge and SiGe alloysNature · 385 citations
- Influence of Polymorphism on the Electronic Structure of Ga 2 O 3Chemistry of Materials · 68 citations
- Electronic and Optical Properties of Small Metal Fluoride ClustersACS Omega · 14 citations
- Towards a photonic band edge laser using hexagonal-SiGe nanowire arrays (Conference Presentation)1 citations
2019
- Accurate electronic and optical properties of hexagonal germanium for optoelectronic applicationsPhysical Review Materials · 75 citations
- Quantization of spin Hall conductivity in two-dimensional topological insulators versus symmetry and spin-orbit interactionPhysical review. B./Physical review. B · 48 citations
- Influence of screening dynamics on excitons in Ga2O3 polymorphsApplied Physics Letters · 38 citations
2018
- Spontaneous symmetry breaking and electronic and dielectric properties in commensurate La7/4Sr1/4CuO4 and La5/3Sr1/3NiO4Physical review. B./Physical review. B · 6 citations
2017
- Fast and accurate approximate quasiparticle band structure calculations of ZnO, CdO, and MgO polymorphsPhysical review. B./Physical review. B · 32 citations
2016
- Quasiparticle bands and spectra of Ga2O3 polymorphsPhysical review. B./Physical review. B · 232 citations
- Dipole analysis of the dielectric function of color dispersive materials: Application to monoclinic Ga2O3Physical review. B./Physical review. B · 66 citations
- Intrinsic spin Hall conductivity in one-, two-, and three-dimensional trivial and topological systemsPhysical review. B./Physical review. B · 52 citations
- Influence of the composition fluctuations and decomposition on the tunable direct gap and oscillator strength of Ge1-xSnx alloysApplied Physics Letters · 26 citations
- Ferroelectric phase transitions in multiferroic Ge1−xMnxTe driven by local lattice distortionsPhysical review. B./Physical review. B · 18 citations
- Quantization and topological states in the spin Hall conductivity of low-dimensional systems: Anab initiostudyPhysical review. B./Physical review. B · 15 citations
2015
- Dielectric tensor of monoclinic Ga 2 O 3 single crystals in the spectral range 0.5–8.5 eVAPL Materials · 105 citations
- Near valence-band electronic properties of semiconducting β−Ga2O3 (100) single crystalsPhysical Review B · 70 citations
2014
- One- and two-particle effects in the electronic and optical spectra of barium fluorideJournal of Physics Condensed Matter · 9 citations
2013
- Relation between spontaneous polarization and crystal field from first principlesPhysical Review B · 38 citations
- Structural and electronic properties of α -tin nanocrystals from first principlesPhysical Review B · 36 citations
- Electronic and optical properties of cadmium fluoride: The role of many-body effectsPhysical Review B · 25 citations
- Optical absorption and emission of α-Sn nanocrystals from first principlesNanotechnology · 15 citations
- Ab initio calculation of optical properties with excitonic effects in wurtzite In x Ga 1 − x N and In x Al 1 − x N alloysPhysical Review B · 15 citations
- The LDA-1/2 technique: Recent developmentsAIP conference proceedings · 14 citations
Research in numbers
From OpenAlex- article188
- conference paper6
- book chapter3
- erratum2
- letter1
- Physical Review B38
- Physical review. B, Condensed matter37
- Applied Physics Letters21
- Physical review. B./Physical review. B10
- Surface Science9
- F. Bechstedt160
- Frank Fuchs22
- Lara Kühl Teles21
- Georg Kresse20
- L. M. R. Scolfaro19
Experience and education
Universities
2017 to 2019Instituto Tecnológico de Aeronáutica
1999 to 2012Schiller International University
2010University of Auckland
2008Paderborn University
2007Boston University
1996 to 2006University of Vienna
1998Friedrich-Alexander-Universität Erlangen-Nürnberg
1994 to 1997TU Wien
1992University of Stuttgart
Industry and labs
1987 to 1995Max Planck Society