Jahn-Teller effects in the SbSBr crystals atomic chain

Phase Transitions

Volumn 77, Issue 11, 2004, Pages 941-954

  Audzijonis, A ^a   Gaigalas, G ^a   Zigas L ^a   Lazauskas, V ^a   Narusis J ^a,b   Mykolaitiene, N ^a,c   Pauliukas, A ^a  

^a VYTAUTAS MAGNUS UNIVERSITY   (Lithuania)

^b VILNIUS UNIVERSITY   (Lithuania)

^c VILNIUS GEDIMINAS TECHNICAL UNIVERSITY   (Lithuania)

Author keywords

Electron phonon interaction; Hartree Fock; Jahn Teller effect; SbSBr chain; Soft mode; Symmetry; Total energy

Indexed keywords

CRYSTALLINE MATERIALS; ELECTRONS; FERROELECTRIC MATERIALS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PHASE EQUILIBRIA; PHASE TRANSITIONS; PHONONS; THERMAL EFFECTS; VAN DER WAALS FORCES;

HARTREE-FOCK; JAHN-TELLER EFFECT; SBSBR CHAIN; SOFT MODE; SYMMETRY; TOTAL ENERGY;

ANTIMONY COMPOUNDS;

EID: 10944256747     PISSN: 01411594     EISSN: None     Source Type: Journal    
DOI: 10.1080/01411590412331282797     Document Type: Article

References (14)

1. Alward, J.F., Fong, C.Y., El-Batanouny, M. and Wooten, F. (1978). Electronic and optical properties of SbSBr, SbSI and SbSel. Sol. State Comm., 25, 307.
2. Audzijonis, A., Žigas, L., Žaltauskas, R. Narušis, J. and Audzijonienė, L. (2002), Electronic potentials of normal vibration modes in SbSI crystals. Ferroelectrics, 274, 1.
3. 1-x crystals. Ferroelectrics, 300, 1.
4. Bersuker, I.B. (1966). On the origin of ferroelectricity in perovskite-type crystals. Physics Letters, 20, 589.
5. Bersuker I.B. (1984). The Jahn-Teller Effect and Vibronic Interactions in Modern Chemistry. Plenum Press, New York.
6. Bersuker, I.B. (1995). Recent development of the vibronic theory of ferroelectricity. Ferroelectrics, 164, 75.
7. Bersuker, I.B. (1999). Cooperative pseudo-Jahn-Teller effect as the driving force of "displacive" phase transitions in crystals. In: Bevilacqua, G., Martinelli, L. and Terzi, N. (Eds.), Electron-phonon Dynamics and Jahn-Teller Effect, p. 63. Word Sci. Publ., Singapoure.
8. Blinc, R. and Žekš, B. (1974). Soft Modes in Ferroelectrics and Antiferroelectrics. p. 126. North-Holland Amsterdam.
9. Furman, E., Brafman, O. and Makovsky, J. (1976). Approximation to long-wavelength lattice dynamics of SbSI-type crystals. Phys. Rev. B, 13, 1703.
10. Inushima, T. (1996). Soft mode observation in paraelectric SbSBr. Physica B, 219-220, 614.
11. Inushima, T. (1999). X-ray study of crystal structure and diffuse scattering spectra of ferroelectric SbSBr having pseudo-Jahn-Teller phase transition. J. Phys. Chem. Solids., 60, 587.
12. Kvedaravičius, S., Audzijonis, A., Mykolaitienė, N. and Grigas, J. (1996a). Soft mode and its electronic potentials in SbSI-type mixed crystals. Ferroelectrics, 177, 181.
13. Kvedaravičius, S., Audzijonis, A. Mykolaitienė, N. and Kancerevičius, A. (1996b), The electronic potential of the V-VI-VII compounds in the region of phase transition. Phase Transitions, 58, 235.
14. Schmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S., Jensen, J.H., Koseki, S., Matsunaga, N., Nguyen, K.A., Su, S.J., Windus, S.J., Dupuis, M. and Montgomery, J.A. (1993). J. Comptut. Chem., 14, 1347.