Browsing School of Physical and Mineral Sciences by Subject "541.0968"

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Computational studies of pyrite-and marcasite-type structures; OsAs2, OsS2, RuAs2, and RuS2

Rapetsoa, Mamphule Johannes (2009)

Calculations were carried out on transition-metal sulphides (TMS) and transitionmetal arsenides (TMA), in both pyrite- and marcasite-type structures, using planewave (PW) pseudopotential methods within density functional ...