Dr. Simone Sanna
Office address
Lehrstuhl für Theoretische Physik
Universität Paderborn
Phone: +49 (0)5251 60 2324
Fax: +49 (0)5251 60 3435
Email: simone.sanna(at)uni-paderborn.de
Web: http://phys.upb.de/ sanna/
Project T1
Ground- and excited-state properties of substrate-supported nanowires calculated from first principles
Areas of Research
• Physics of surfaces and interfaces
• Nanoscale science
• Computational physics
Selected Publications
1. S. Sanna, C. Thierfelder, S. Wippermann, T. P. Sinha and W. G. Schmidt
Ground- and excited-state properties of barium titanate from first-principles calculations
Phys. Rev. B 83, 054112 (2011).
2. Simone Sanna and Wolf Gero Schmidt
Lithium niobate X-cut, Y-cut, and Z-cut surfaces from ab initio theory
Phys. Rev. B 81, 214116 (2010).
3. S. Sanna, W. G. Schmidt, U. Gerstmann and Th. Frauenheim
Rare-earth defect pairs in GaN: LDA+U calculations
Phys. Rev. B 80, 104120 (2009).
4. S. Sanna, U. Gerstmann and Th. Frauenheim
Validity of the Slater-Janak transition-state model within the LDA+U approach
Phys. Rev. B 78, 085201 (2008).
5. S. Sanna, B. Hourahine, U. Gerstmann and Th. Frauenheim
Efficient tight binding approach for the study of strongly correlated systems
Phys. Rev. B 76, 155128 (2007).