Analysis of interionic potentials in chalcogenide crystals with sodium chloride structure

被引:0
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作者
Ghatak, Biswajit [1 ]
Mandal, Jagdhar [1 ]
机构
[1] TM Bhagalpur Univ, Univ Dept Phys, Bhagalpur 812007, Bihar, India
关键词
Crystalline state properties; Gruneisen parameter; second Gruneisen parameter; IONIC-CRYSTALS; HALIDES; ENERGIES; SOLIDS;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Values of cohesive energy, atomization energy, force constant, IR absorption frequency, Debye temperature, Gruneisen parameter, Anderson-Gruneisen parameter and Moelwyn-Hughes parameter for 45 chalcogenide crystals of NaCl-structure are reported here. These parameters have been obtained by using the Born-Mayer and Varshini-Shukla interionic short-range repulsive interactions. Calculations have also been performed for the computation of first order volume dependence of Gruneisen parameter commonly known as second Gruneisen parameter using expressions of higher order derivatives of interaction potential within the frame work of Dugdale and MacDonald theory. The high pressure behaviour of these crystals have also been studied.
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页码:1271 / 1279
页数:9
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