Thermoelectric properties of CdTe Materials: DFT Study

被引：4
|
作者：
Mani, J. [1 ]
Kumar, N. Rajeev [2 ]
Radhakrishnan, R. [2 ]
Anbalagan, G. [1 ]
机构：
[1] Univ Madras, Dept Nucl Phys, Chennai 25, Tamil Nadu, India
[2] Univ Madras, Dept Theoret Phys, Chennai 25, Tamil Nadu, India
来源：
DAE SOLID STATE PHYSICS SYMPOSIUM 2019 | 2020年 / 2265卷
关键词：
FIGURE;
D O I：
10.1063/5.0016968
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
In this paper we have investigated the thermoelectric (TE) properties of metal chalcogenides like CdTe material using first principles plane wave pseudo potential method as implemented in the Quantum Espresso package. Boltzmann transport equation also implemented. The negative value of Seebeck Coefficient graph shows that the n-type semiconductor indicates that the conduction is due to electrons. The electrical conductivity of the following material decreases with an increase in temperature due to increase in thermal conductivity. In this paper we have calculated Seebeck Coefficient, electricaland thermal conductivity. The dimensionless Figure of Merit (ZT) is increasing with temperature and the maximum value is 0.65 at 800K.
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页数：4
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