Abstract
The coordination numbers in As2Se3 glass were determined by a combination of anomalous X-ray scattering experiments, reverse Monte Carlo modeling, and ab initio molecular dynamics simulations. We found that 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”.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
