Banding and electronic structures of metal azides——Sensitivity and conductivity

• 作 者: 肖鹤鸣 李永富
• 机 构: （DepartmentofChemistry,NanjingUniversityofScienceandTechnology,Nanjing210094,China）,China）
• 出 处: 中国科学：化学英文版
• 发表日期: 1995年5期
• 关键词: METAL AZIDE sensitivity CONDUCTIVITY electronic STRUCTURE BANDING structure. met

By using both DV-Xα and EH-CO methods, the calculation studies of the structure-property relationships of a series of metal azides, of their clusters’ electronic structures in ground and excited states, of their systems with cation vacancy and the doped P