DFT calculations map Raman signatures, Gruneisen parameters, phonon lifetimes, and temperature-dependent anharmonicity in hexagonal Si and Ge allotropes to inform device applications.
Thorough descriptor search to machine learn the lattice thermal conductivity of half-heusler com- pounds
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Unraveling the significance of Raman modes, Gruneisen parameters and phonon lifetimes in the hexagonal allotropes of Silicon and Germanium compounds
DFT calculations map Raman signatures, Gruneisen parameters, phonon lifetimes, and temperature-dependent anharmonicity in hexagonal Si and Ge allotropes to inform device applications.