Simulations of arsenic selenide glasses

In this paper we make some general comments on the methods used for modelling glasses and use glassy GeSe2 as an example. We then emphasize recent work on As–Se glasses, including glassy As2Se3 and amorphous AsSe. The topology and electronic and vibrational properties of the models are discussed and with their use 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 be interpreted as arising from three distinct subbands with well defined structural origins.