中国物理B ›› 2011, Vol. 20 ›› Issue (4): 43103-043103.doi: 10.1088/1674-1056/20/4/043103

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Abnormal physics of group-II telluride system: valence contribution of d electrons

黄燕1, 陈效双1, 段鹤2, 董有忠3   

  1. (1)National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, China; (2)School of Physics and Optoelectronic Engineering, Guangdong University of Technology, Guangzhou 510006, China;National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, China; (3)School of Physics, South China University of Technology, Guangzhou 510640, China
  • 收稿日期:2010-10-17 修回日期:2010-11-11 出版日期:2011-04-15 发布日期:2011-04-15
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 10847111 and 61006091), the Startup Project for Ph. D. of Guangdong University of Technology (Grant No. 083034), and the Fundamental Research Funds for the Central Universities of South China University of Technology (Grant No. 2009ZM0022).

Abnormal physics of group-II telluride system: valence contribution of d electrons

Duan He(段鹤)a)b)†, Dong You-Zhong(董有忠) c), Huang Yan(黄燕)b), and Chen Xiao-Shuang(陈效双)b)   

  1. a School of Physics and Optoelectronic Engineering, Guangdong University of Technology, Guangzhou 510006, China; b National Laboratory for Infrared Physics, Shanghai Institute of Technical Physics, Chinese Academy of Sciences, Shanghai 200083, China; c School of Physics, South China University of Technology, Guangzhou 510640, China
  • Received:2010-10-17 Revised:2010-11-11 Online:2011-04-15 Published:2011-04-15
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 10847111 and 61006091), the Startup Project for Ph. D. of Guangdong University of Technology (Grant No. 083034), and the Fundamental Research Funds for the Central Universities of South China University of Technology (Grant No. 2009ZM0022).

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摘要： The physical trend of group-II tellurides is unexpected and contrary to the conventional wisdom. The present first-principles calculations give fundamental insights into the extent to which group-II telluride compounds present special properties upon mixing the d valence character. Our results provide explanations for the unexpected experimental observations based on the abnormal binding ordering of metal d electrons and their strong perturbation to the band edge states. The insights into the binary tellurides are useful for the study and control of the structural and chemical perturbation in their ternary alloys and heterostructures.

关键词: group-II tellurides, first-principles calculations, electronic property tendency, delocalized metal d states

Abstract: The physical trend of group-II tellurides is unexpected and contrary to the conventional wisdom. The present first-principles calculations give fundamental insights into the extent to which group-II telluride compounds present special properties upon mixing the d valence character. Our results provide explanations for the unexpected experimental observations based on the abnormal binding ordering of metal d electrons and their strong perturbation to the band edge states. The insights into the binary tellurides are useful for the study and control of the structural and chemical perturbation in their ternary alloys and heterostructures.

Key words: group-II tellurides, first-principles calculations, electronic property tendency, delocalized metal d states

中图分类号: 

  • 31.15.E-
71.20.-b (Electron density of states and band structure of crystalline solids) 81.05.Dz (II-VI semiconductors) 71.23.An (Theories and models; localized states)