A microscopic model for the concentration dependence of the antiferrodistortive phase transition in mixed betaine phosphate/phosphite crystals

被引：3
|
作者：
Braeter, H [1 ]
Totz, J [1 ]
Michel, D [1 ]
机构：
[1] Univ Leipzig, Fak Phys & Geowissenschaft, D-04103 Leipzig, Germany
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 1999年 / 11卷 / 39期
关键词：
D O I：
10.1088/0953-8984/11/39/305
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The concentration dependence of the high temperature antiferrodistortive (afd) phase transition temperature Te in single crystals of the mixed crystal system betaine phosphate and betaine phosphite (BP1-xBPIx) is studied. New experimental data obtained by H-2 nuclear magnetic resonance (NMR) spectroscopy on deuterated single crystals of this system confirm the nonlinear behaviour of T-C(x), in particular the maximum at intermediate concentrations. A microscopic model is proposed which in extension of the treatment of a small defect concentration makes use of the virtual crystal approximation (VCA) to be applicable to the mixed crystal system DBP1-xDBPIx with finite concentrations x. By this means the experimentally observed behaviour of the afd phase transition temperature as a function of x is elucidated and the nonlinear behaviour of T-C(x) is explained in agreement with the afd character of the transition.
引用
收藏
页码：7481 / 7491
页数：11
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