Thermoelectric properties of CdTe materials: DFT study

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 Coeff...

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Bibliographic Details
Main Authors: Mani, J., Kumar, N. Rajeev, Radhakrishnan, R., Anbalagan, G.
Format: Conference Proceeding
Language:English
Subjects:
Boltzmann transport equation
Electrical resistivity
Figure of merit
First principles
Heat conductivity
Heat transfer
Mathematical analysis
N-type semiconductors
Plane waves
Seebeck effect
Thermal conductivity
Thermoelectric materials
Transport equations
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Summary: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.
ISSN:0094-243X
1551-7616
DOI:10.1063/5.0016968