Strukturelle und elektronische Eigenschaften der Platinsilizide aus ab initio Rechnungen (1999)

Diplomarbeit (in German) carried out under the supervision of Dr Oleg Pankratov at the Universität Erlangen-Nürnberg, Germany.

The elastic constants for Pt, Si, Pt2Si and PtSi are calculated via density functional theory (DFT) within the LDA approximation. In addition, Kohn-Sham band structures and the electron density are predicted.

Most of the results were published in two papers in Phys Rev B:

First-principles elastic constants and electronic structure of α-Pt₂Si and PtSi Beckstein, O.; Klepeis, J. E.; Hart, G. L.W.; and Pankratov, O. Phys Rev B, 63(13):134112. 2001.

Chemical bonding, elasticity, and valence force field models: A case study for α-Pt₂Si and PtSi Klepeis, J. E.; Beckstein, O.; Pankratov, O.; and Hart, G. L.W. Phys Rev B, 64(15):155110. 2001.