Abstract
Two theoretical approache are describes to examine the bulk moduli of solids. The first is based on an ab initio method requiring only the atomic numbers of the constituent atoms as input. The second is a much simpler empirical approach which is applicable to diamond and zinc blende solids and uses the nearest-neighbor bond length as input. Both methods give comparable results, but the inition approach can be used to study the details of the structural, bonding and electronic properties of solids. Thi s aspect of the ab initio method is illustrated by a description of the bonding changes during a graphite-to-diamond pressure-induced transition and by a study of the structural and bonding properties of BN, BP, BAs and SiC.
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.
