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


Reference:

Shibuya, T., Skelton, J. M., Jackson, A. J., Yasuoka, K., Togo, A., Tanaka, I. and Walsh, A., 2016. Suppression of lattice thermal conductivity by mass-conserving cation mutation in multi-component semiconductors. APL Materials, 4 (10), 104809.

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    Official URL:

    http://dx.doi.org/10.1063/1.4955401

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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.

    Details

    Item Type Articles
    CreatorsShibuya, T., Skelton, J. M., Jackson, A. J., Yasuoka, K., Togo, A., Tanaka, I. and Walsh, A.
    DOI10.1063/1.4955401
    Related URLs
    URLURL Type
    http://dx.doi.org/10.1063/1.4955401Free Full-text
    DepartmentsFaculty of Science > Chemistry
    Research CentresCentre for Sustainable Chemical Technologies
    EPSRC Centre for Doctoral Training in Statistical Mathematics (SAMBa)
    RefereedYes
    StatusPublished
    ID Code51093

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