Paper Type |
Contributed Paper |
Title |
Calculation of Electronic Structure and Thermoelectric Properties of Ge(1-x)Six Alloy |
Author |
M. Nambuddee1, and P. Moontragoon*1,2,3 |
Email |
mpairo@kku.ac.th |
Abstract: The electronic structures and thermoelectric properties, including thermal conductivity, electrical conductivity and Seebeck coefficient, of Ge(1-x)Six alloy in various composition of x were calculated by means of the principle calculation on Generalized Gradient Approximation (GGA) , packaged in ABINIT code, and the semi-classical Boltzmann transport theory, packaged in the BoltzTraP respectively. The Ge(1-x)Six alloy was modeled as 1x1x2 super-cell in diamond structure which consists of 16 atoms. The germanium (Ge) and silicon (Si) affect the electronic and thermoelectric properties that were studied by comparing the results of pure silicon, pure germanium and alloys. The results indicated that the energy band gap of alloy will decrease when the Ge of alloy increase. For thermoelectric properties, the result showed that the figure of merit (ZT) of silicon-rich doped with germanium atom is higher than pure silicon, pure germanium, germanium-rich doped with silicon atom, and GeSi alloy in zinc-blend structure. This is because of the Ge-atom-defect which plays an important role as a heavy-ion phonon scatter in reducing thermal conductivity. |
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Start & End Page |
1013 - 1019 |
Received Date |
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Revised Date |
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Accepted Date |
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Full Text |
Download |
Keyword |
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Volume |
Vol.40 No.6 SPECIAL ISSUE 2 |
DOI |
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Citation |
Nambuddee1 M. and Moontragoon1,2,3 P., Calculation of Electronic Structure and Thermoelectric Properties of Ge(1-x)Six Alloy, Chiang Mai J. Sci., 2013; 40(6): 1013-1019. |
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