Univ.Prof.i.R. Karlheinz Schwarz

Institut für Materialchemie, Technische Universität Wien
Getreidemarkt 9/165-TC, A-1060 Wien, Austria
Tel: +43 1 58801 165301     Fax: +43 1 58801 165982
kschwarz@theochem.tuwien.ac.at
www.wien2k.at/theochem/schwarz

Office: Hochhaus 1.Stock; BA 01-162

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Forschungsarbeit

• WIEN2k
  (An APW+lo program package
  for DFT calculations of solids)  »  Details

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Curriculum vitae

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Publikationen

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)