Structure and Properties of Semiconductor Microclusters GanPn（n=1-4）： A First Principle Study

• 作 者: ZHANGCai-rong CHENHong-shan WA
• 机 构: CollegeofPhysicsandElectronicEngineering,NationalLaboratoryofSolidStateMicrostructure
• 出 处: 高等学校化学研究：英文版
• 发表日期: 2004年5期
• 关键词: 半导体 磷化镓 电子结构 稳定性 偶极矩 振动性能 极化度 离子电位 Ga-%n%P-%n(n%=1_4
• 基金项目: Supported by the West Visiting Scholar Foundation of the Educational Ministry of China and the Natiional NaturalScience Foundation of China(No.10 3470 0 7)

The possible geometrical structures and relative stabilities of semiconductor microclusters Ga.P.(n=1-4) were studied by virtue of density functional calculations with generalized gradient approximation(B3LYP). For the most stable isomers of Ga,,P.(n=1-4)