Инд. авторы:	Krylov A.S., Sofronova S.N., Kolesnikova E.M., Ivanov Y.N., Sukhovsky A.A., Goryainov S.V., Ivanenko A.A., Shestakov N.P., Kocharova A.G., Vtyurin A.N.
Заглавие:	Experimental and theoretical methods to study structural phase transition mechanisms in K3WO3F3 oxyfluoride
Библ. ссылка:	Krylov A.S., Sofronova S.N., Kolesnikova E.M., Ivanov Y.N., Sukhovsky A.A., Goryainov S.V., Ivanenko A.A., Shestakov N.P., Kocharova A.G., Vtyurin A.N. Experimental and theoretical methods to study structural phase transition mechanisms in K3WO3F3 oxyfluoride // Journal of Solid State Chemistry. - 2014. - Vol.218. - P.32-37. - ISSN 0022-4596. - EISSN 1095-726X.
Внешние системы:	DOI: 10.1016/j.jssc.2014.05.028; РИНЦ: 24061475; SCOPUS: 2-s2.0-84903155012; WoS: 000339987000006;
Реферат:	eng: The results of structural phase transitions mechanisms study in K 3WO3F3oxyfluoride are represented by different experimental and theoretical methods. The structural phase transition anomalies at T1=452 K and T2=414 K of Raman and IR spectra have been analyzed. Using vibrational spectroscopy methods, the NMR-experiment has been done to clarify the nature of found phase transitions: displacive types or order-disorder types. The model of 'disordered' crystal was proposed, and the results of lattice dynamics calculation in frameworks of the generalized Gordon-Kim method of ordered (R3) and 'disordered' crystals were compared. The high pressure phases were studied by the Raman technique too. © 2014 Elsevier Inc.
Ключевые слова:	Structural phase transition; Theoretical methods; Solids; Order-disorder type; High-pressure phasis; High hydrostatic pressure; Dynamics calculations; Spectroscopic analysis; Raman spectroscopy; Oxyfluorides; Lattice vibrations; Infrared spectroscopy; Hydrostatic pressure; Raman spectroscopy; Oxyfluorides; NMR spectroscopy; Lattice dynamics calculations; IR spectroscopy; High hydrostatic pressure; Nuclear magnetic resonance spectroscopy; Raman and IR spectrum;
Издано:	2014
Физ. характеристика:	с.32-37