A.o. Prof. Peter Blaha

Institut für Materialchemie, Technische Universität Wien
Getreidemarkt 9/165-TC, A-1060 Wien, Austria
Tel: +43 1 58801 165300     Fax: +43 1 58801 165982
pblaha@theochem.tuwien.ac.at
www.imc.tuwien.ac.at/staff/tc_group_d.php

Büro: Hochhaus 1.Stock; BA 01-162

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Forschungsarbeit

• WIEN2k (An APW+lo program package for DFT calculations of solids)  »  Details
• SFB F-41, "ViCoM": Electronic Structure of Solids, Surfaces and Nanostructures »  Details
• FWF Doctoral School "Solids4Fun": Building Solids for Function  »  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)
  
• Subsurface cation vacancy stabilization of the magnetite (001) surface", Science, 346, 1215 - 1218 (2014)
  
• Room-temperature spin-spiral multiferroicity in high-pressure cupric oxide", Nature Communications, 4, 2511 (2013)
  
• Carbon monoxide-induced adatom sintering in a Pd-Fe₃O₄ model catalyst, Nature Materials, 12, 724 (2013)
  
• Oxide Heterostructures for Efficient Solar Cells, Physical Review Letters, 110, 078701 (2013)
  
• Origin of NMR shielding in fluorides, Physical Review B 85, 245117 (2012)
  
• Spin-State Crossover and Hyperfine Interactions of Ferric Iron in MgSiO₃ Perovskite , Physical Review Letters 106, 118501 (2011)
  
• Understanding the L_2,3 x-ray absorption spectra of early 3d transition elements , Physical Review B 82, 205105 (2010)
  
• Accurate Band Gaps of Semiconductors and Insulators with a Semilocal Exchange-Correlation Potential , Physical Review Letters 102, 226401 (2009)
  
• Surface Trapping of Atoms and Molecules with Dipole Rings , Science 319, 1824 (2008)
  
• Single-Layer Model of the Hexagonal Boron Nitride nanomesh on the Rh(111) surface , Physical Review Letters 98, 106802 (2007)