We devise a simple heuristic method for obtaining the relaxation time and electrical conductivity dependence on the temperature of carriers in 2D semiconductors. The approach is computationally straightforward. It relies on the BoltzTraP algorithm (from the Boltzmann transport equation), on a direct fitting procedure, and on a proper scaling at a reference temperature. The approach provides a good estimate for the figure of merit ZT, an important characterization of thermoelectricity in materials. We employ our approach to analyze promising 2D systems for thermoelectric applications, namely, nitrogenated holey graphene (NHG), boron-doped NHG, and tungsten disulfide 2D-. In all these cases, our results agree with computationally expensive calculations available in the literature at a fraction of the computing time.
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21 March 2022
Research Article|
March 21 2022
A direct approach to calculate the temperature dependence of the electronic relaxation time in 2D semiconductors from Boltzmann transport theory
Raphael M. Tromer
;
Raphael M. Tromer
1
Departamento de Física, Universidade Federal do Rio Grande do Norte
, Natal, RN 59078-970, Brazil
2
Applied Physics Department, University of Campinas
, Campinas, SP 13083-970, Brazil
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Luiz Felipe C. Pereira
;
Luiz Felipe C. Pereira
1
Departamento de Física, Universidade Federal do Rio Grande do Norte
, Natal, RN 59078-970, Brazil
3
Departamento de Física, Universidade Federal de Pernambuco
, Recife, PE 50670-901, Brazil
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M. S. Ferreira
;
M. S. Ferreira
4
School of Physics, Trinity College Dublin
, Dublin 2, Ireland
5
Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin
, Dublin 2, Ireland
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M. G. E. da Luz
M. G. E. da Luz
a)
6
Departamento de Física, Universidade Federeal do Paraná
, Curitiba, PR 81531-980, Brazil
a)Author to whom correspondence should be addressed: luz@fisica.ufpr.br
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a)Author to whom correspondence should be addressed: luz@fisica.ufpr.br
J. Appl. Phys. 131, 115704 (2022)
Article history
Received:
December 05 2021
Accepted:
February 28 2022
Citation
Raphael M. Tromer, Luiz Felipe C. Pereira, M. S. Ferreira, M. G. E. da Luz; A direct approach to calculate the temperature dependence of the electronic relaxation time in 2D semiconductors from Boltzmann transport theory. J. Appl. Phys. 21 March 2022; 131 (11): 115704. https://doi.org/10.1063/5.0080938
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