Thermodynamic Stability of Two Rhombohedral Phases of Si0.5Ge0.5 Alloy
P. Bogusławski
Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warszawa, Poland
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Thermodynamic stability of two ordered phases, RS1 and RS2, of Si0.5Ge0.5 alloy is considered. Bulk and surface formation enthalpies are calculated using the model Tersoff's potential. RS2 structure is unstable, but its (001) ordered surface is stable against segregation. Properties of RS1 are just the opposite.
DOI: 10.12693/APhysPolA.80.299
PACS numbers: 61.55.Hg, 68.35.Md, 68.60.Dv