Pressure-induced phase transition and elastic properties of barium chalcogenides

被引：5
|
作者：
Kholiya, Kuldeep [1 ]
Verma, Swati [2 ]
机构：
[1] Kumaon Engn Coll, Dept Appl Sci, Dwarahat 263653, Uttarakhand, India
[2] Kumaon Engn Coll, Dept Comp Sci, Dwarahat 263653, Uttarakhand, India
来源：
PHASE TRANSITIONS | 2011年 / 84卷 / 01期
关键词：
B1-B2 phase transition; barium chalcogenides; cohesive energy; potential model; BAND-OVERLAP METALLIZATION; BASE; BATE; BEHAVIOR; MODEL;
D O I：
10.1080/01411594.2010.519967
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
Two-body, Born-Mayer type potential considered up to the third nearest-neighbor interaction have been used to investigate the B1-B2 phase transition and elastic properties of barium chalcogenides at high pressure. The computed values of B1-B2 phase transition pressure, equation of state (compression curve), bulk modulus, and its first-order pressure derivative are given along with the available experimental and other theoretical values. This study supports the Born's stability criterion and shows that the third nearest-neighbor interaction has an important role to predict the B1-B2 phase transition pressure in barium chalcogenides.
引用
收藏
页码：67 / 76
页数：10
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