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- W2004454208 abstract "We suggest that metal multilayer systems can be fruitfully modeled by crystalline-layer-type compounds. As an example we have performed first-principles local-density calculations on the platinum-tantalum system for two compounds, PtTa and ${mathrm{Pt}}_{2}$Ta. The crystal structures considered were CsCl, CuAuI, ${mathrm{MoSi}}_{2}$, and ${mathrm{MoPt}}_{2}$. These structures may be viewed as stackings of low-index planes of fcc or bcc crystals and may be transformed from one to another by a tetragonal distortion. In contrast, epitaxial growth often involves stackings of close-packed layers and, in the case of the bcc structure, the low-index (100) and close-packed (110) stackings are connected by an orthorhombic distortion. Total energies have been calculated and from these interface energies defined. Tracing the total energies over the above-mentioned distortions has yielded results consistent with known phase-diagram behavior and has suggested that Pt adsorbed on Ta(110) is locally stable although globally unstable." @default.
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- W2004454208 date "1987-06-15" @default.
- W2004454208 modified "2023-09-28" @default.
- W2004454208 title "Structural stabilities of layered materials: Pt-Ta" @default.
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- W2004454208 doi "https://doi.org/10.1103/physrevb.35.9284" @default.
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