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Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide

Author: Ngoepe, PE ; Ntoahae, PS ; Mangwejane, SS ; Sithole, Happy M ; Parker, SC ; Wright, KV ; De Leeuw, NH Date: Sep 2005 The authors present the results of atomistic simulations using derived interatomic potentials for the pyrite-structured metal chalcogenides FeS2, PtSb2 and PtAs2. Structural and elastic constants were calculated and compared with experimental ... Read more

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Browsing by Subject "Surface energies"

Browsing by Subject "Surface energies"

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