Elastic properties and phase stability of AgBr under pressure

被引:35
作者
Jochym, PT [1 ]
Parlinski, K [1 ]
机构
[1] Inst Nucl Phys, PL-31342 Krakow, Poland
来源
PHYSICAL REVIEW B | 2002年 / 65卷 / 02期
关键词
D O I
10.1103/PhysRevB.65.024106
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Ab initio calculations have been used to derive the elastic constants, equation of state and free energy of NaCl-, KOH-, and CsCl-type structures of AgBr. The elastic constants have been derived by the stress-strain relation. The shear elastic constants C-44 has proven to be exceptionally soft. We have found that at temperature T = 0 the phase transition from the low pressure NaCl-type to the high-pressure CsCl-type structure goes over a monoclinic KOH-type structure. The free energy comparison indicates that the monoclinic phase ranges from 8 to 35 GPa.
引用
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页码:1 / 6
页数:6
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