Validity of rigid band approximation of PbTe thermoelectric materials

被引：52

作者：

Takagiwa, Yoshiki ^{[1
,2
]}

Pei, Yanzhong ^{[2
]}

Pomrehn, Gregory ^{[2
]}

Snyder, G. Jeffrey ^{[2
]}

机构：

[1] Univ Tokyo, Dept Adv Mat Sci, Kashiwa, Chiba 2778561, Japan

[2] CALTECH, Pasadena, CA 91125 USA

来源：

APL MATERIALS | 2013年 / 1卷 / 01期

关键词：

ELECTRONIC-STRUCTURE; NANOSTRUCTURES; ENHANCEMENT; ALLOYS; FIGURE; PBSE;

D O I：

10.1063/1.4809545

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The tuning of carrier concentration through chemical doping is very important for the optimization of thermoelectric materials. Traditionally, a rigid band model is used to understand and guide doping in such semiconductors, but it is not clear whether such an approximation is valid. This letter focuses on the changes in the electronic density of states (DOS) near the valence band maximum for different p-type dopants (Na, K, Tl, or vacancy on Pb site) maintaining the high symmetry of the NaCl structure. Na- and K-doped, and vacancy-introduced PbTe show a clear rigid-band like change in DOS unlike that concluded from supercell based calculations. (C) 2013 Author(s).

引用

页数：5

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