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We have carried out a detailed study of the chemical bonding for tworoom-temperature stable platinum silicide phases, tetragonal alpha-Pt_2Si andorthorhombic PtSi. An analysis of the valence electronic charge density revealssurprising evidence of covalent three-center bonds in both silicide phases, aswell as two-dimensional metallic sheets in alpha-Pt_2Si. These elements of thebonding are further analyzed by constructing valence force field models usingthe results from recent first principles calculations of the six (nine)independent, non-zero elastic constants of alpha-Pt_2Si (PtSi). The resultingvolume-, radial-, and angular-dependent force constants provide insight intothe relative strength of various bonding elements as well as the trendsobserved in the elastic constants themselves. The valence force field analysisyields quantitative information about the nature of the chemical bonding whichis not easily discernable from the more qualitative charge density plots. Moregenerally, this study demonstrates that the detailed variations in the elasticconstants of a material contain useful information about the chemical bondswhich can be extracted using valence force field models. Inversely, thesemodels also allow identification of specific elements of the chemical bondingwith particular trends in the elastic constants, both within a given materialand among a class of related materials.Comment: v1: 14 pages, 5 figures, 2 tables (submitted to Phys. Rev. B); based  on Beckstein et al, Phys. Rev. B 63, 134112 (2001) = cond-mat/000820

physical review. b, condensed matter

Chemical bonding, elasticity, and valence force field models: A case study for<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi><mml:mo>−</mml:mo><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Pt</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mi mathvariant="normal">Si</mml:mi></mml:math>and PtSi

Chemical bonding, elasticity, and valence force field models: A case study forα−Pt2Siand PtSi