Author:Ngoepe, PE; Ntoahae, PS; Mangwejane, SS; Sithole, Happy M; Parker, SC; Wright, KV; De Leeuw, NHDate:Sep 2005The 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