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First-principles study of electronic, atomic structures, phonon spectra and dielectric properties of calcium and cadmium apatites
(Scientific and Technological Corporation “Institute for Single Crystals”, 2015)
Phonon densities of states, dielectric constants, the Born effective charges, interatomic force constants of stoichiometric apatites Me10(PO4)6X2, where Me = Ca or Cd and X = F, CI, Br, OH, were calculated in the framework ...