Revisiting thermal transport in CuInTe2: Role of temperature-dependent anharmonicity and higher-order phonon–phonon interactions

Author:

Yadav Praveen1ORCID,Jain Ankit1ORCID

Affiliation:

1. Mechanical Engineering Department, IIT Bombay , Mumbai, India

Abstract

The temperature-dependent phonon thermal transport in CuInTe2 is investigated by considering lattice thermal expansion, temperature-dependent anharmonicity, higher-order phonon–phonon interactions, and phonon renormalization with input from first-principles based density functional theory calculations. Incorporating these higher-order temperature-dependent effects reveals that the thermal conductivity varies with temperature as T−1.59 consistent with experimental measurements ranging from T−1.62 to T−1.78. Using the lowest-order theory or only temperature-dependent interatomic force constants or four-phonon scattering resulted in a wrong description of thermal transport physics.

Publisher

AIP Publishing

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