DFT calculations map Raman signatures, Gruneisen parameters, phonon lifetimes, and temperature-dependent anharmonicity in hexagonal Si and Ge allotropes to inform device applications.
Machine learning an ab-initio based bond-order potential for bismuthene
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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.