%0 Journal Article
%T Does the $8-N$ bonding rule break down in As$_2$Se$_3$ glass?
%A S. Hosokawa
%A A. Koura
%A J. -F. B¨Śrar
%A W. -C. Pilgrim
%A S. Kohara
%A F. Shimojo
%J Physics
%D 2013
%I arXiv
%R 10.1209/0295-5075/102/66008
%X The local coordination numbers of As$_2$Se$_3$ glass were determined by a combination of anomalous x-ray scattering experiments, reverse Monte Carlo calculations, and {\it ab initio} molecular dynamics simulations. The well-known `8-$N$ bonding rule' proposed by Mott breaks down around the As atoms, exceeding the rule by 7--26%. An experimental prediction based on mean-field theory agrees with the present experimental and theoretical results. The fourfold coordinated As atoms likely form As-As wrong bond chains rather than ethan-like configurations, which is identified as the origin for the breakdown of the `8-$N$ bonding rule'.
%U http://arxiv.org/abs/1305.2559v1