Vibronic model for antiferroelectric phase transition in squaric acid, H2C4O4

被引：6
|
作者：
Gabuda, SP
Kozlova, SG
Dalal, NS
机构：
[1] RAS, Nikolaiev Inst Inorgan Chem, SB, Novosibirsk 630090, Russia
[2] Florida State Univ, Dept Chem & Biochem, Tallahassee, FL 32306 USA
来源：
SOLID STATE COMMUNICATIONS | 2004年 / 130卷 / 11期
关键词：
ferroelectrics; crystal structure and symmetry; phase transitions;
D O I：
10.1016/j.ssc.2004.04.006
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The antiferroelectric phase transition in H2C4O4 crystals is analyzed using the neutron diffraction and high resolution C-13, O-17 NMR data, Hartree-Fock, Moller-Plesset and DFT calculations. Is shown that AFE phase transition is of mixed order-disorder and of displacive type represented within of the unified vibronic interaction model. (C) 2004 Elsevier Ltd. All rights reserved.
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页码：729 / 733
页数：5
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