Atomistic insight into the promising thermoelectric performance of the copper-based ternary phosphide CaCuP.

Autor: Jong, Un-Gi, Ryu, Chol, Hwang, Ji-Min, Kim, Su-Hyang, Ju, Il-Gwang, Yu, Chol-Jun
Předmět:
Zdroj: Chemical Communications; 11/25/2024, Vol. 60 Issue 1, p13400-13403, 4p
Abstrakt: A first-principles study on the thermoelectric properties of the copper-based ternary phosphide CaCuP is presented. Self-energy relaxation time approximation and unified theory for lattice transport provide an accurate description of electron–phonon and phonon–phonon scattering. Our work provides an atomistic insight into its high thermoelectric performance, highlighting that nano-structuring can increase the thermoelectric figure of merit ZT by reducing the lattice thermal conductivity. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index