Enhanced thermoelectric properties of Bi2O2Se ceramics by Bi deficiencies

被引：9
|
作者：
Wei, Tao [1 ,2 ]
Xu, Bin [3 ]
Ji, Xinsheng [2 ]
机构：
[1] Henan Univ Engn, Comp Coll, Zhengzhou 451191, Henan, Peoples R China
[2] Natl Digital Switching Syst Engn & Technol R&D Ct, Zhengzhou 450002, Henan, Peoples R China
[3] North China Univ Water Resources & Elect Power, Zhengzhou 450046, Henan, Peoples R China
来源：
EUROPEAN PHYSICAL JOURNAL B | 2019年 / 92卷 / 01期
关键词：
Solid State and Materials; CRYSTAL-STRUCTURE; TEMPERATURE;
D O I：
10.1140/epjb/e2018-90238-x
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The electronic structure and the thermoelectric properties of Bi2-xO2Se (x = 0, 1/4, 1/8, 1/16, 1/32, 1/36, 1/54 and 1/64) are studied by the first principles and the semiclassical BoltzTraP theory. It is found that the energy band gaps increase with increasing x. The calculated total density of states (TDOS) near the Fermi level and bandwidth are influenced by the applied defect. The S values of Bi2-xO2Se are much larger than Bi2O2Se at the same n, due to the much larger TDOS of Bi2-xO2Se. sigma/ of p-type Bi2-xO2Se are larger than that of the n-type ones, due to the larger TDOS on the top of the valence band (VB). (0)of p-type doping is higher than that of n-type doping. Z(e)T can be increased by Bi deficiency.
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页数：5
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