The use of strain to tailor electronic thermoelectric transport properties: A first principles study of 2H-phase CuAlO2

Witkoske, Evan; Guzman, David; Feng, Yining; Strachan, Alejandro; Lundstrom, Mark; Lu, Na

doi:10.1063/1.5058275

Title: The use of strain to tailor electronic thermoelectric transport properties: A first principles study of 2H-phase CuAlO₂

Journal Article · 14 January 2019 · Journal of Applied Physics

DOI: https://doi.org/10.1063/1.5058275 · OSTI ID:1508961

Witkoske, Evan ^[1]; Guzman, David ^[2];

^[1]; Strachan, Alejandro ^[1];

^[1];

^[1]

Purdue Univ., West Lafayette, IN (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States)

Using first principles calculations, the use of strain to adjust electronic transport and the resultant thermoelectric (TE) properties is discussed using 2H phase CuAlO₂ as a test case. Transparent oxide materials, such as CuAlO₂, a p-type transparent conducting oxide (TCO), have recently been studied for high temperature thermoelectric power generators and coolers for waste heat. Given TCO materials with relative ease of fabrication, low cost of materials, and non-toxicity, the ability to tailor them to specific temperature ranges, power needs, and size requirements, through the use of strain opens an interesting avenue. We find that strain can have a significant effect on these properties, in some cases detrimental and in others beneficial, including the potential for n-type power factors larger than the highest p-type case. The physical reasons for this behavior are explained in the terms of the thermoelectric transport distribution and the Landauer distribution of modes.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0012704

OSTI ID:: 1508961

Report Number(s):: BNL--211589-2019-JAAM

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 8 Vol. 125; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Title: The use of strain to tailor electronic thermoelectric transport properties: A first principles study of 2H-phase CuAlO₂