Simulations of arsenic selenide glasses

Abstract

In this paper we make some general comments on the methods used for modellingglasses and use glassy GeSe2 as an example. We then emphasize recent work onAs–Se glasses, including glassy As2Se3 and amorphous AsSe. The topology andelectronic and vibrational properties of the models are discussed and with theiruse we infer the microscopic nature of the valence band x-ray photoemission(XPS) signal of g-As2Se3 and AsSe. We note that the XPS signal may beinterpreted as arising from three distinct subbands with well defined structuralorigins.