title: Bulk modulus for polar covalent crystals.
abstract: A microscopic empirical model of bulk modulus based on atomic-scale parameters is proposed. These parameters include the bond length, the effective bonded valence electron (EBVE) number, and the coordination number product of two bonded atoms, etc. The estimated bulk moduli from our model are in good agreement with experimental values for various polar covalent crystals including ionic crystals. Our current work sheds lights on the nature of bulk modulus, provides useful clues for design of crystals with low compressibility, and is applicable to complex crystals such as minerals of geophysical importance.
authors.affiliation: State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China.
authors.forename: Bo
authors.initials: B
authors.lastname: Xu
authors.forename: Qianqian
authors.initials: Q
authors.lastname: Wang
authors.forename: Yongjun
authors.initials: Y
authors.lastname: Tian