摘要
The results of ab initio calculations of the bulk moduli (B-0) and related structural and electronic properties of selected transition metals and their nitrides are presented. There is a correlation between B-0 and valence charge density. B-0 does not vary monotonically with the addition of d electrons. Charge density and density of states (DOS) plots enable us to explain it.
- 出版日期2004-3-30
- 单位武汉大学