Polymorphism in chalcogenides of alkaline-earth metals

被引:0
|
作者
Drozdov, V. A. [1 ]
Pozhivatenko, V. V. [1 ]
Drozdov, M. A. [1 ]
Kovalchuk, V. V. [1 ]
Moiseev, L. M. [1 ]
Moiseeva, V. O. [1 ]
机构
[1] South Ukrainian State Univ, 26 Staroportofrankovskaya Str, UA-65045 Odessa, Ukraine
关键词
alkaline-earth metal chalcogenides; local density functional theory;
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Calculations of structural phase transitions B1 - B2 under pressure in chalcogenides of alkaline-earth metals were carried out on the basis of approach of the local density functional theory, where as a fitting used was the constructive amendments of the potential by means of the electronic density received in a self-coordinated calculation using the approximation of the local density.
引用
收藏
页码:115 / 117
页数:3
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