Peculiarities of phonon spectra for crystals with cuprite lattice due to sublattice structure
The different translational symmetry of cuprite crystal sublattices is taken into account by unfolding the phonon spectrum from the Brillouin zone of the crystal into the Brillouin zones of the anion and metal. Such a representation of the spectrum is reasonable because 6 optical branches essentially consist of the anion vibrations and 12 acoustic branches are due to the metal vibrations owing to the greater value distinction between their masses. The volumes of the Brillouin zone of the anion and metal sublattices are two and four times as large as those of the crystal, respectively, the latter resulting in the qualitative difference of the corresponding unfolded spectra because of the metal tetrahedron vibrations of the distortion type in the acoustic spectrum. These vibrations are on the Х’(1,0,0)-W’(1,0,1/2), Х’(0,1,0)-W’(0,1,1/2) lines of the metal Brillouin zone and are responsible for the negative thermal expansion. The unfolded spectra have only three branches in the corresponding Brillouin zones and this simplifies the selection rules for the different processes with the participation of the sublattice particle vibrations.
Keywords
cuprite,
phonon spectrum,
sublattices,
unfolded spectrumAuthors
| Poplavnoi A.S. | Kemerovo State University | popl@kemsu.ru |
Всего: 1
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