Engineering the Thermal Conductivity of Doped SiGe by Mass Variance: A First-Principles Proof of Concept
Thermal conductivity of bulk Si0.5 Ge0.5 at room temperature has been calculated using density functional perturbation theory and the phonon Boltzmann transport equation. Within the virtual crystal approximation, second- and third-order interatomic force constants have been calculated to obtain anha...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2021-07-01
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| Series: | Frontiers in Mechanical Engineering |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/articles/10.3389/fmech.2021.712989/full |