First-principles calculations to investigate third-order elastic constant, anharmonicity and temperature dependent second elastic constant of thermoelectric materials Cu3MSe4(M = V and Nb)

Li, Yuanyuan; Chen, Shu‐Ling; Zhou, Ying; Hong, Chuanbing; Zeng, Hanlu; Dai, Peng; Yang, Yimeng; Deng, Chaofang; Yang, Dingfeng

doi:10.1016/j.cplett.2022.140254

Chemical Physics Letters

2023

DOI: 10.1016/j.cplett.2022.140254

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First-principles calculations to investigate third-order elastic constant, anharmonicity and temperature dependent second elastic constant of thermoelectric materials Cu3MSe4(M = V and Nb)

Yuanyuan Li

Shu‐Ling Chen

Ying Zhou

et al.

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Large difference of lattice thermal conductivity between thermoelectric compounds Cu3VSe4 and Tl3VSe4: Elasticity, anharmonicity and chemical bonding from first-principles calculation

Yang,

Chen,

et al. 2023

Materials Today Communications

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Large difference of lattice thermal conductivity between thermoelectric compounds Cu3VSe4 and Tl3VSe4: Elasticity, anharmonicity and chemical bonding from first-principles calculation

Yang,

Chen,

et al. 2023

Materials Today Communications

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First-principles calculations to investigate third-order elastic constant, anharmonicity and temperature dependent second elastic constant of thermoelectric materials Cu3MSe4(M = V and Nb)

Cited by 1 publication

References 74 publications

Large difference of lattice thermal conductivity between thermoelectric compounds Cu3VSe4 and Tl3VSe4: Elasticity, anharmonicity and chemical bonding from first-principles calculation

Large difference of lattice thermal conductivity between thermoelectric compounds Cu3VSe4 and Tl3VSe4: Elasticity, anharmonicity and chemical bonding from first-principles calculation

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