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Titolo:
Monte Carlo study of a compressible pseudospin model for (CH3NH3)(5)Bi2Cl11 - art. no. 224110
Autore:
Kuchta, B; Carpentier, P; Jakubas, R; Zajac, W; Zielinski, P;
Indirizzi:
Inst Nucl Phys, PL-31342 Krakow, Poland Inst Nucl Phys Krakow Poland PL-31342 Nucl Phys, PL-31342 Krakow, Poland Wroclaw Tech Univ, Inst Phys & Theoret Chem, PL-50370 Wroclaw, Poland Wroclaw Tech Univ Wroclaw Poland PL-50370 Chem, PL-50370 Wroclaw, Poland CNRS, CEA, Inst Biol Struct Jean Pierre Ebel, F-38027 Grenoble, France CNRS Grenoble France F-38027 Jean Pierre Ebel, F-38027 Grenoble, France Univ Wroclaw, Inst Chem, PL-50383 Wroclaw, Poland Univ Wroclaw Wroclaw Poland PL-50383 Inst Chem, PL-50383 Wroclaw, Poland
Titolo Testata:
PHYSICAL REVIEW B
fascicolo: 22, volume: 6322, anno: 2001,
pagine: 4110 -
SICI:
0163-1829(20010601)6322:22<4110:MCSOAC>2.0.ZU;2-W
Fonte:
ISI
Lingua:
ENG
Soggetto:
ANOMALOUS THERMOELASTIC BEHAVIOR; PHASE-TRANSITIONS; FERROELECTRIC CRYSTAL; (CH3NH3)5BI2CL11 CRYSTALS; MOLECULAR REORIENTATIONS; UNDECACHLORODIBISMUTHATE(III); MECHANISM; SYMMETRY; PMACB;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
--discip_EC--
Citazioni:
26
Recensione:
Indirizzi per estratti:
Indirizzo: Zielinski, P Inst Nucl Phys, Ul Radzikowskiego 152, PL-31342 Krakow, Poland Inst Nucl Phys Ul Radzikowskiego 152 Krakow Poland PL-31342
Citazione:
B. Kuchta et al., "Monte Carlo study of a compressible pseudospin model for (CH3NH3)(5)Bi2Cl11 - art. no. 224110", PHYS REV B, 6322(22), 2001, pp. 4110

Abstract

A two-sublattice peudospin model with distance-dependent interaction parameters is constructed for the ferroelectric phase transition at 307 K and for the isomorphous anomaly at 180 K in pentakis (methylammonium) undecachlorodibismuthate (III) (CH3NH3)(5)Bi2Cl11. A series of Monte Carlo simulationsinvolving continuous degrees of freedom of deformation is performed for the model. The critical temperatures turn out about 23% lower than those resulting from the mean-field treatment for the three-dimensional fee lattice in the absence of coupling with strain. An upward shift in the critical temperature then is found due to the coupling with the strain. The multiple histogram method is used to obtain the theoretical predictions for the temperature dependence of the spontaneous polarization, dielectric susceptibility,and specific heat. The existence of a narrow peak in the specific heat andthe ratio of the Curie constants close to 4 are confirmed. Evidence is given of the usefulness of the Monte Carlo method with fairly small simulationboxes for the studies of isomorphous anomalies.

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Documento generato il 21/09/20 alle ore 05:48:51