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

作　　者：段鹤 董有忠 黄燕 陈效双 

机构地区：[1]School of Physics and Optoelectronic Engineering,Guangdong University of Technology [2]National Laboratory for Infrared Physics,Shanghai Institute of Technical Physics,Chinese Academy of Sciences [3]School of Physics,South China University of Technology

出　　处：《Chinese Physics B》2011年第4期243-248,共6页中国物理B（英文版）

基　　金：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);the Fundamental Research Funds for the Central Universities of South China University of Technology (Grant No. 2009ZM0022)

摘　　要：The physical trend of group-I/tellurides is unexpected and contrary to the conventional wisdom. The present firstprinciples 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.The physical trend of group-I/tellurides is unexpected and contrary to the conventional wisdom. The present firstprinciples 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 

分 类 号：O561[理学—原子与分子物理]