High thermoelectric performance in metastable phase of silicon: A first-principles study

High thermoelectric performance in metastable phase of silicon: A first-principles study

In this work, both thermal and electrical transport properties of diamond-cubic Si (Si-I) and metastable R8 phases of Si (Si-XII) are comparatively studied by using first-principles calculations combined with the Boltzmann transport theory. The metastable Si-XII shows one magnitude lower lattice the...

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Bibliographic Details
Main Authors: Ju, S. (Author), Rao, Y. (Author), Zhao, C.Y (Author)
Format: Article
Language:English
Published: American Institute of Physics Inc. 2022
Subjects:
Calculations
Crystal lattices
Electric conductivity
Electrical conductivity
Electrical transport properties
First principle calculations
First-principle study
Lattice thermal conductivity
Metastable phase
Metastable phases
Metastables
Phonon scattering
Phonons
Silicon compounds
Statistical mechanics
Thermal and electrical transport
Thermal conductivity
Thermal transport properties
Thermoelectric performance
Thermoelectric power
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