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- Max Planck SocietyDE111 papers
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Showing 2010 · cond-mat.mtrl-sciShow all
3 papers · 2 filters
cond-mat.mtrl-sci2010
Controlled way to prepare quasi-1D nanostructures with complex chemical composition in porous anodic alumina
M. R. Lukatskaya, L. A. Trusov, A. A. Eliseev +4
This paper has been withdrawn by the author.
cond-mat.mtrl-sci2010★ 52 cited
Ab initio energy landscape of LiF clusters
K. Doll, J. C. Schoen, M. Jansen
A global search for possible LiF cluster structures is performed, up to (LiF)8. The method is based on simulated annealing, where all the energies are evaluated on the ab initio le…
cond-mat.mtrl-sci2010
First-principles modeling of oxygen interaction with SrTiO3(001) surface: Comparative density-functional LCAO and plane-wave study
Vitaly Alexandrov, Sergei Piskunov, Yuri F. Zhukovskii +2
Large scale first-principles calculations based on density functional theory (DFT) employing two different methods (atomic orbitals and plane wave basis sets) were used to study th…