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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).

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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).

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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).

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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).

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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).

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