ItemArticle

Ultrahigh Power Factors in Ultrawide-Band-Gap GaB3N4and AlB3N4for High-Temperature Thermoelectric Applications

Title
Ultrahigh Power Factors in Ultrawide-Band-Gap GaB3N4and AlB3N4for High-Temperature Thermoelectric Applications
Creator
Panneerselvam I.R.; Devi Kalathiparambil Rajendra Pai S.; Baldo C.; Rangaswamy N.; Sahasranaman M.
Description
With recent thermoelectric studies concentrating too much on low- and mid-temperature applications, an interesting question is, "are there any materials suitable for high-temperature thermoelectric operations?"To answer this, we have demonstrated in this work the viability of the ternary ultrawide-band-gap materials GaB3N4 and AlB3N4 for high-temperature thermoelectric applications using the first-principles calculation method. Our accurate transport calculations, considering both elastic and inelastic scattering mechanisms, reveal the ultrahigh power factors as high as 1821 ?W m-1 K-2 in GaB3N4 and 1876 ?W m-1 K-2 in AlB3N4 at 2000 K. The power factors are calculated from the Seebeck coefficients and electrical conductivities for both electron and hole carrier concentrations between 1018 and 1021 cm-3. For the figure-of-merit (ZT) calculation, the obtained power factors along with the electronic thermal conductivities determined from the definite Lorenz numbers and the lattice thermal conductivities from the phonon vibrations were used. The calculated ZT values seem to be appreciable for high-temperature applications considering the materials' stability factor and the temperature range within the optimum electron carrier concentration of 1021 cm-3. Although the lattice thermal conductivities are higher, which decrease the values of ZT, considering the ultrahigh power factors instead of the ZT factor could be the right choice for high-temperature thermoelectric applications.
Source
ACS Applied Electronic Materials, Vol-3, No. 1, pp. 219-229.
Date
2021-01-01
Publisher
American Chemical Society
Subject
Boltzmann transport equation; density functional theory; first-principles calculations; phonon scattering; thermoelectric properties
Coverage
Panneerselvam I.R., Young Scientist Training Program Fellow, Asia Pacific Center for Theoretical Physics, POSTECH Campus, Pohang, 37673, South Korea; Devi Kalathiparambil Rajendra Pai S., Department of Chemistry, CHRIST, Deemed to Be University, Bangalore, Karnataka, 560029, India; Baldo C., Young Scientist Training Program Fellow, Asia Pacific Center for Theoretical Physics, POSTECH Campus, Pohang, 37673, South Korea, Department of Physics, Mapua University, Intramuros, Manila, 1002, Philippines; Rangaswamy N., Division of Physics, School of Advanced Sciences, Vellore Institute of Technology (VIT), Chennai Campus, Chennai, 600127, India; Sahasranaman M., Chemistry Division, School of Advanced Sciences, Vellore Institute of Technology (VIT), Chennai Campus, Chennai, 600127, India
Rights
Restricted Access
Relation
ISSN: 26376113
Format
Online
Language
English
Type
Article

Collection

Articles

Citation

Panneerselvam I.R.; Devi Kalathiparambil Rajendra Pai S.; Baldo C.; Rangaswamy N.; Sahasranaman M., “Ultrahigh Power Factors in Ultrawide-Band-Gap GaB3N4and AlB3N4for High-Temperature Thermoelectric Applications,” CHRIST (Deemed To Be University) Institutional Repository, accessed February 25, 2025, https://archives.christuniversity.in/items/show/15887.

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