Date of Graduation

7-2020

Document Type

Thesis

Degree Name

Master of Science in Microelectronics-Photonics (MS)

Degree Level

Graduate

Department

Microelectronics-Photonics

Advisor/Mentor

Manasreh, Bothina H.

Committee Member

Manasreh, Omar O.

Second Committee Member

Wise, Rick L.

Third Committee Member

Bellaiche, Laurent

Keywords

Computational physics; Electronic; Mono- Chalcogenides; Structural; Thermoelectric

Abstract

The structural, electronic, and thermoelectric properties of GeTe are studied using density functional theory and Boltzmann transport equations. This material has a rhombohedral crystal structure in ambient temperature with a ferroelectric behavior due to lack of inversion symmetry. This study suggests that the presence of asymmetry in GeTe can lead to an improvement in the thermoelectric properties of this material. In addition, studies on introducing Group III, IV, and V dopants to GeSe show that while these impurities can improve the power factor and decrease the lattice thermal conductivity, they cannot enhance the figure of merit.

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