首页> 外文期刊>Journal of nanoparticle research: An interdisciplinary forum for nanoscale science and technology >Growth behavior and electronic and optical properties of IrGen (n=1-20) clusters
【24h】

Growth behavior and electronic and optical properties of IrGen (n=1-20) clusters

机译:Growth behavior and electronic and optical properties of IrGen (n=1-20) clusters

获取原文
获取原文并翻译 | 示例
       

摘要

First principles calculations are performed to investigate the structural and electronic properties of small IrGen (n=1-20) clusters. Cage-like configurations where the iridium atom is encapsulated inside a germanium cage are predicted to be favored for n >= 12. Doping Ir atom enhances the stability of the corresponding germanium frame. Our results highlight the great stability of IrGe13 which presents a high-symmetry cage-like geometry and a peculiar electronic structure in which the valence electrons of Ir and Ge atoms are delocalized and exhibit a shell structure. Absorption spectra, vertical ionization potentials, and electron affinities are also calculated and discussed.

著录项

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