Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors

Taizo Shibuya, Jonathan M. Skelton, Adam J. Jackson, Kenji Yasuoka, Atsushi Togo, Isao Tanaka, Aron Walsh

Research output: Contribution to journalArticle

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Abstract

In semiconductors almost all heat is conducted by phonons (lattice vibrations), which is limited by their quasi-particle lifetimes. Phonon-phonon interactions represent scattering mechanisms that produce thermal resistance. In thermoelectric materials, this resistance due to anharmonicity should be maximised for optimal performance. We use a first-principles lattice-dynamics approach to explore the changes in lattice dynamics across an isostructural series where the average atomic mass is conserved: ZnS to CuGaS2 to Cu2ZnGeS4. Our results demonstrate an enhancement of phonon interactions in the multernary materials, and confirm that lattice thermal conductivity can be controlled independently of the average mass and local coordination environments.
LanguageEnglish
Article number104809
JournalAPL Materials
Volume4
Issue number10
DOIs
StatusPublished - Oct 2016

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Lattice vibrations
Cations
Thermal conductivity
Positive ions
Semiconductor materials
Phonons
Heat resistance
Scattering

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Shibuya, T., Skelton, J. M., Jackson, A. J., Yasuoka, K., Togo, A., Tanaka, I., & Walsh, A. (2016). Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors. DOI: 10.1063/1.4955401

Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors. / Shibuya, Taizo ; Skelton, Jonathan M.; Jackson, Adam J.; Yasuoka, Kenji ; Togo, Atsushi; Tanaka, Isao; Walsh, Aron.

In: APL Materials, Vol. 4, No. 10, 104809 , 10.2016.

Research output: Contribution to journalArticle

Shibuya, T, Skelton, JM, Jackson, AJ, Yasuoka, K, Togo, A, Tanaka, I & Walsh, A 2016, 'Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors' APL Materials, vol. 4, no. 10, 104809 . DOI: 10.1063/1.4955401
Shibuya T, Skelton JM, Jackson AJ, Yasuoka K, Togo A, Tanaka I et al. Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors. APL Materials. 2016 Oct;4(10). 104809 . Available from, DOI: 10.1063/1.4955401
Shibuya, Taizo ; Skelton, Jonathan M. ; Jackson, Adam J. ; Yasuoka, Kenji ; Togo, Atsushi ; Tanaka, Isao ; Walsh, Aron. / Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors. In: APL Materials. 2016 ; Vol. 4, No. 10.
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