【24h】

Theoretic study of the structures and electric properties of N-doped InSb nanoclusters

机译:N掺杂InSb纳米团簇结构和电学性质的理论研究

获取原文
获取原文并翻译 | 示例

摘要

The first-principle quantum mechanical method was used to investigate the structures and electric properties of N-doped. Doping of N atom to clusters is found to be energetically quite favorable except for n=16. Different from bulk material, the LUMO-HOMO energy gaps of the In_nSb_n (n=6-12,14,16,24) clusters are enlarged by doping of N. The analysis of the electron density of the HOMO and LUMO states was performed to understand the behavior .
机译:用第一性原理量子力学方法研究了掺氮的结构和电性能。发现将n原子掺杂到簇上在能量上是非常有利的,除了n = 16。与块状材料不同,In_nSb_n(n = 6-12,14,16,24)团簇的LUMO-HOMO能隙通过掺杂N来扩大。对HOMO和LUMO态的电子密度进行了分析了解行为。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号