Lattice dynamics and phase transitions in a crystal Ba-=SUB=-2-=/SUB=-ZnTeO-=SUB=-6-=/SUB=-
نویسندگان
چکیده
The lattice dynamics of Ba 2 ZnTeO 6 double perovskite in three phases has been studied. Vibrational spectra and dynamic charges are calculated. In the rhomobohedral phase R3m, soft modes were found; after their condensation, C2/m was obtained, which agrees with experiment. An assessment made dependence enthalpy different on pressure; it showed that monoclinic is more favorable at 0 pressure, but as pressure increases to 2.9 GPa, cubic Fm3m becomes advantageous. Keywords: Lattice dynamics, transitions, perovskites.
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ژورنال
عنوان ژورنال: Fizika tverdogo tela
سال: 2022
ISSN: ['0367-3294', '1726-7498']
DOI: https://doi.org/10.21883/pss.2022.12.54395.445