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- W1967433246 abstract "Cubic LiZnAs is typical of ${mathrm{A}}^{mathit{I}}{mathrm{B}}^{mathit{II}}{mathrm{C}}^{mathit{V}}$ ``filled tetrahedral'' semiconductors, whose properties closely resemble those of a III--V binary ``analog,'' e.g., GaAs. For LiZnAs we analyze the phonon dispersion relation and compare with that of GaAs, identify Born dynamical charges, characterize zone-center optic modes, and predict low and high-temperature Debye temperatures. High-frequency optic modes are $mathrm{Li}mathrm{As}$ dominated, due to the low Li mass. We briefly compare predictions with recent Raman data for LiZnP, another member of this compound class. Just as Zn in LiZnAs has been ``promoted'' to mimic a column III atom, yielding ${mathrm{Li}}^{+}{(mathrm{Zn}mathrm{As})}^{ensuremath{-}}$, we suggest that hexagonal LiBC, should be regarded as ${mathrm{Li}}^{+}{(mathrm{B}mathrm{C})}^{ensuremath{-}}$, resembling hexagonal BN (with C promoted to resemble N) weakly perturbed by the ${mathrm{Li}}^{+}$ potential. Deintercalation of Li from LiBC should consequently be very difficult, inhibiting its possible superconductivity." @default.
- W1967433246 created "2016-06-24" @default.
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- W1967433246 date "2005-05-13" @default.
- W1967433246 modified "2023-10-14" @default.
- W1967433246 title "Calculation of the vibrational spectrum of cubic LiZnAs" @default.
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- W1967433246 doi "https://doi.org/10.1103/physrevb.71.193201" @default.
- W1967433246 hasPublicationYear "2005" @default.
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