Abstract
Phonon spectra of Cu_{6}PS_{5}Br superionic ferroelastic: experimental and theoretical studies
Highlights
Cu6PS5Br crystals belong to the family of compounds with argyrodite structure [1,2]
At room temperature these crystals belong to cubic syngony while at low temperatures two phase transitions (PTs) are realized: a ferroelastic transition at Tc = (268 ± 2) K and a superionic one at Ts = (166 − 180) K [3,4]
It should be noted that the studies of the low-frequency spectral range are most interesting for solid electrolytes, since the low-energy mode observed in phonon spectra is their typical characteristic, generally referred to as the low-energy optical (LEO) phonon [22,23]
Summary
Cu6PS5Br crystals belong to the family of compounds with argyrodite structure [1,2] They are characterized by high concentration of disordered vacancies and possess both superionic and ferroelastic properties. High ionic conductivity at room temperature [3,4] determines the possibility of their application as solid electrolyte sources of energy, sensors and capacitors. At room temperature these crystals belong to cubic syngony (space group F 43m) while at low temperatures two phase transitions (PTs) are realized: a ferroelastic transition at Tc = (268 ± 2) K and a superionic one at Ts = (166 − 180) K [3,4]. The present paper is aimed at the experimental and theoretiacal studies of phonon spectra in Cu6PS5Br superionic ferroelastics
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