Rushchanskii, Konstantin Z. and Vysochanskii, Yulian M. and Strauch, Dieter (2007) Ferroelectricity, nonlinear dynamics, and relaxation effects in monoclinic Sn2P2S6. PHYSICAL REVIEW LETTERS, 99 (20): 207601. ISSN 0031-9007,
Full text not available from this repository.Abstract
An ab initio-based model of the temperature-induced ferroelectric phase transition in Sn2P2S6 (SPS) as a prototype of an unconventional ferroelectric is developed. The order parameter in SPS is found as the valley line on a total-energy surface of the zone-center fully symmetrical A(g) and polar B-u distortions. Significant nonlinear coupling between order parameter and strain is observed. Monte Carlo simulations describe the additional low-temperature rearrangement in polar structure, which appears in domain boundaries, and describe the relaxation phenomena near the ferroelectric phase transition.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | PHASE-TRANSITIONS; PHONON INTERACTIONS; NEUTRON-SCATTERING; PEROVSKITE OXIDES; CRYSTAL-STRUCTURE; SOFT MODES; ENERGY; |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Dieter Strauch |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 30 Nov 2020 07:10 |
| Last Modified: | 30 Nov 2020 07:10 |
| URI: | https://pred.uni-regensburg.de/id/eprint/31920 |
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