An algorithm of calculating transport parameters of thermoelectric materials using single band model with optimized integration methods

DOI10.1016/J.CPC.2019.106875OpenAlexW2971075322WikidataQ127315030 ScholiaQ127315030MaRDI QIDQ2698776

Kuo-Chuan Chang, Chia-Jyi Liu

Publication date: 25 April 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2019.106875

zbMATH Keywords

errorFermi-Dirac integralprogram runtimeSPB modelthermoelectric transport parameters

Mathematics Subject Classification ID

Numerical analysis (65-XX) Statistical mechanics, structure of matter (82-XX)

Cites Work

• On the evaluation of fermi-Dirac integral and its derivatives by IMT and DE quadrature methods
• Double exponential formulas for numerical integration
• On the numerical evaluation of the generalised Fermi-Dirac integrals
• The Fermi-Dirac integrals $$\mathcal{F}_p (\eta ) = (p!)^{ - 1} \int\limits_0^\infty {\varepsilon ^p (e^{\varepsilon - \eta } + 1} )^{ - 1} d\varepsilon $$
• Thermoelectrics. Basic principles and new materials developments
• Analytical expansion and numerical approximation of the Fermi-Dirac integrals \(\mathcal F_j(x)\) of order \(j=-1/2\) and \(j=1/2\)

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