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

作者：Duan He a)b) Dong You Zhong c) Huang Yan b) and Chen Xiao Shuang b) a)School of Physics and Optoelectronic Engineering Guangdong University of Technology Guangzhou China b)National Laboratory for Infrared Physics Shanghai Institute of Technical Physics Chinese Academy of Sciences Shanghai China c)School of Physics South China University of Technology Guangzhou China

来源：Chinese Physics B, 2011, (04): 247-252.

• group-Ⅱ tellurides
• first-principles calculations
• electronic property tendency
• delocalized metal d states

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.

• 单位
  华南理工大学; 红外物理国家重点实验室