Phonon spectra of Cu_{6}PS_{5}Br superionic ferroelastic: experimental and theoretical studies
The anomalous temperature behavior of the Raman scattering bands at superionic phase transition of is revealed. Using density functional perturbation theory within local density approximation, ab initio long-wavelength phonons have been obtained for high-symmetry cubic structure. In the calculated p...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2007-01-01
|
| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.10.1.11 |
| _version_ | 1818846257329733632 |
|---|---|
| author | I.P.Studenyak K.Z.Rushchanskii R.Yu.Buchuk V.O.Stephanovich |
| author_facet | I.P.Studenyak K.Z.Rushchanskii R.Yu.Buchuk V.O.Stephanovich |
| author_sort | I.P.Studenyak |
| collection | DOAJ |
| description | The anomalous temperature behavior of the Raman scattering bands at superionic phase transition of is revealed. Using density functional perturbation theory within local density approximation, ab initio long-wavelength phonons have been obtained for high-symmetry cubic structure. In the calculated phonon spectrum two unstable modes indicate the experimentally observed sequence of ferroelastic and superionic phase transitions. |
| first_indexed | 2024-12-19T05:42:41Z |
| format | Article |
| id | doaj.art-f59923fb713f41709c91ac4b7dfed690 |
| institution | Directory Open Access Journal |
| issn | 1607-324X |
| language | English |
| last_indexed | 2024-12-19T05:42:41Z |
| publishDate | 2007-01-01 |
| publisher | Institute for Condensed Matter Physics |
| record_format | Article |
| series | Condensed Matter Physics |
| spelling | doaj.art-f59923fb713f41709c91ac4b7dfed6902022-12-21T20:33:57ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2007-01-0110111Phonon spectra of Cu_{6}PS_{5}Br superionic ferroelastic: experimental and theoretical studiesI.P.StudenyakK.Z.RushchanskiiR.Yu.BuchukV.O.StephanovichThe anomalous temperature behavior of the Raman scattering bands at superionic phase transition of is revealed. Using density functional perturbation theory within local density approximation, ab initio long-wavelength phonons have been obtained for high-symmetry cubic structure. In the calculated phonon spectrum two unstable modes indicate the experimentally observed sequence of ferroelastic and superionic phase transitions.http://dx.doi.org/10.5488/CMP.10.1.11superionic materialslattice dynamicsphase transitions |
| spellingShingle | I.P.Studenyak K.Z.Rushchanskii R.Yu.Buchuk V.O.Stephanovich Phonon spectra of Cu_{6}PS_{5}Br superionic ferroelastic: experimental and theoretical studies Condensed Matter Physics superionic materials lattice dynamics phase transitions |
| title | Phonon spectra of Cu_{6}PS_{5}Br superionic ferroelastic: experimental and theoretical studies |
| title_full | Phonon spectra of Cu_{6}PS_{5}Br superionic ferroelastic: experimental and theoretical studies |
| title_fullStr | Phonon spectra of Cu_{6}PS_{5}Br superionic ferroelastic: experimental and theoretical studies |
| title_full_unstemmed | Phonon spectra of Cu_{6}PS_{5}Br superionic ferroelastic: experimental and theoretical studies |
| title_short | Phonon spectra of Cu_{6}PS_{5}Br superionic ferroelastic: experimental and theoretical studies |
| title_sort | phonon spectra of cu 6 ps 5 br superionic ferroelastic experimental and theoretical studies |
| topic | superionic materials lattice dynamics phase transitions |
| url | http://dx.doi.org/10.5488/CMP.10.1.11 |
| work_keys_str_mv | AT ipstudenyak phononspectraofcu6ps5brsuperionicferroelasticexperimentalandtheoreticalstudies AT kzrushchanskii phononspectraofcu6ps5brsuperionicferroelasticexperimentalandtheoreticalstudies AT ryubuchuk phononspectraofcu6ps5brsuperionicferroelasticexperimentalandtheoreticalstudies AT vostephanovich phononspectraofcu6ps5brsuperionicferroelasticexperimentalandtheoreticalstudies |