Vibronic model for antiferroelectric phase transition in squaric acid, H_2C_4O_4

S.P. Gabuda; S.G. Kozlova; N.S. Dalal

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Vibronic model for antiferroelectric phase transition in squaric acid, H_2C_4O_4

机译：方酸H_2C_4O_4中反铁电相变的振动模型

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The antiferroelectric phase transition in H_2C_4O_4 crystals is analyzed using the neutron diffraction and high resolution ~(13)C, ~(17)O 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.

机译：使用中子衍射和高分辨率〜（13）C，〜（17）O NMR数据，Hartree-Fock，Moller-Plesset和DFT计算分析了H_2C_4O_4晶体中的反铁电相变。结果表明，在统一的振动相互作用模型中，AFE相变是混合有序无序和位移类型的。

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来源
《Solid State Communications》 |2004年第11期|p.729-733|共5页
作者
S.P. Gabuda; S.G. Kozlova; N.S. Dalal;
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作者单位

Nikolaiev Institute of Inorganic Chemistry, SB RAS, Lavrentieva, 3, Novosibirsk 630090, Russian Federation;

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原文格式 PDF
正文语种 eng
中图分类固体物理学;
关键词
A. Ferroelectrics; C. Crystal structure and symmetry; D. Phase transitions;

机译：A.铁电;C.晶体结构和对称性;D．相变;

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Vibronic model for antiferroelectric phase transition in squaric acid, H_2C_4O_4

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