Michiel Sprik
Journal of Physics Condensed Matter
We report an ab initio study of the mechanical stability of platinum nitride (PtN), in four different crystal structures, the rock salt (rs-PtN), zinc-blende (zb-PtN), cooperite, and a face-centered orthorhombic phase. Of these phases only the rs-PtN phase is found to be stable and has the highest bulk modulus B=284 GPa. Its electronic density of states shows no band gap making it metallic. The zb-PtN phase does not stabilize or harden by the nitrogen vacancies investigated in this study. Therefore, the experimental observation of super hardness in PtN remains a puzzle. © 2006 The American Physical Society.
Michiel Sprik
Journal of Physics Condensed Matter
A. Nagarajan, S. Mukherjee, et al.
Journal of Applied Mechanics, Transactions ASME
T.N. Morgan
Semiconductor Science and Technology
O.F. Schirmer, K.W. Blazey, et al.
Physical Review B