Em.Univ.Prof. Karlheinz Schwarz
Institute of Material Chemistry, Technical University Vienna
Getreidemarkt 9/165-TC, A-1060 Vienna, Austria
Tel: +43 1 58801 165301 Fax: +43 1 58801 165982
kschwarz@theochem.tuwien.ac.at
www.imc.tuwien.ac.at/staff/tc_group_d.php
Office: Hochhaus 1.Stock; BA 01-162
Research Activities
- WIEN2k
(An APW+lo program package
for DFT calculations of solids) » Details
Highlights:
-
Reproducibility in density functional theory calculations of solids",
Science, 351, aad3000 (2016)
- Room-temperature spin-spiral multiferroicity in high-pressure cupric oxide", Nature Communications, 4, 2511 (2013)
- Spin-State Crossover and Hyperfine Interactions of Ferric Iron in MgSiO3 Perovskite , Physical Review Letters 106, 118501 (2011)
- Single-Layer Model of the Hexagonal Boron Nitride nanomesh on the Rh(111) surface , Physical Review Letters 98, 106802 (2007)
- The interface between silicon and a high-k oxide , Nature 427, 53 (2004)