Monte carlo simulation of pressure-induced phase transitions in spin-crossover materials

被引：108

作者：

Konishi, Yusuke ^{[1
]}

Tokoro, Hiroko ^{[1
,2
]}

Nishino, Masamichi ^{[3
,4
]}

Miyashita, Seiji ^{[1
,4
]}

机构：

[1] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1138656, Japan

[2] JST, PRESTO, Kawaguchi, Saitama 3320012, Japan

[3] Computat Mat Sci Ctr, Natl Inst Mat Sci, Tsukuba, Ibaraki 3050047, Japan

[4] JST, CREST, Kawaguchi, Saitama 3320012, Japan

来源：

PHYSICAL REVIEW LETTERS | 2008年 / 100卷 / 06期

关键词：

D O I：

10.1103/PhysRevLett.100.067206

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Pressure-induced phase transitions of spin-crossover materials are studied in a microscopic model taking into account the elastic interaction among distortions of lattice due to the difference of the molecular sizes between the high-spin state and the low-spin state. We perform Monte Carlo simulations in the constant pressure ensemble and reproduce several important properties of the pressure effect in a unified way with a microscopic mechanism for the first time. The simulation newly reveals how the temperature dependence of the ordering process changes with the pressure.

引用

页数：4

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