High thermoelectric figure of merit in p-type Mg3Si2Te6: role of multi-valley bands and high anharmonicity

Author:

Pandey Tribhuwan1ORCID,Peeters François M.12,Milošević Milorad V.134ORCID

Affiliation:

1. Department of Physics, University of Antwerp, Groenenborgerlaan 171, Antwerp 2020, Belgium

2. Departamento de Física, Universidade Federal do Ceará, Caixa Postal 6030, Fortaleza 60455-760, Brazil

3. NANOlab Center of Excellence, University of Antwerp, Antwerp 2020, Belgium

4. Instituto de Física, Universidade Federal de Mato Grosso, 78060-900 Cuiabá, Mato Grosso, Brazil

Abstract

Using first-principles modeling we predict Mg3Si2Te6 to have high power-factor and ultra-low lattice thermal conductivity, making them promising for silicon based thermoelectrics.

Funder

Fonds Wetenschappelijk Onderzoek

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry

Reference66 articles.

1. Lawrence Livermore National Laboratory, U.S. Department of Energy- https://flowcharts.llnl.gov

2. Advances in thermoelectric materials research: Looking back and moving forward

3. Materials for thermoelectric energy conversion

4. D. M.Rowe , CRC handbook of thermoelectrics , CRC press , 2018

5. Silicon–germanium alloys as high-temperature thermoelectric materials

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