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- W2022240065 abstract "We report ab initio calculations of the phonon spectra for hafnium nitride (HfN) at ambient and high pressures. The calculation of phonon density of states using the density functional perturbation theory including external perturbations like strains and electric fields in periodic systems carried out for full Brillouin zone. The lattice constant obtained for the HfN is in agreement with the experimental value. The calculated pressure variation of the phonon density of states show trend similar to the pressure dependent Raman spectra. The results regarding zone‐center phonon modes for HfN shows generally good agreement with Raman measurements phonon." @default.
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- W2022240065 date "2011-01-01" @default.
- W2022240065 modified "2023-09-23" @default.
- W2022240065 title "High Pressure Study on The Phonon Spectra in Hafnium Nitrides" @default.
- W2022240065 doi "https://doi.org/10.1063/1.3606132" @default.
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