Lattice dynamical and elastic properties of BaFX (X = Cl, Br and I): Matlockite structure compounds

被引：4
|
作者：
Kushwaha, A. K. [1 ]
Akbudak, S. [2 ]
Yadav, A. C. [1 ]
Ugur, S. [3 ]
Ugur, G. [3 ]
机构：
[1] KN Govt PG Coll, Dept Phys, Gyanpur 221304, Bhadohi, India
[2] Adiyaman Univ, Fac Arts & Sci, Dept Phys, TR-02100 Adiyaman, Turkey
[3] Gazi Univ, Fac Sci, Dept Phys, TR-06500 Ankara, Turkey
来源：
INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2019年 / 33卷 / 20期
关键词：
Matlockite structure; zone-center; phonons; elastic constants; Debye temperature; RAMAN-SPECTRA; SCATTERING; CONSTANTS; CRYSTALS; BACLF;
D O I：
10.1142/S0217979219502217
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
In this study, an eleven-parameter rigid-ion model (RIM) is proposed for BaFX (X = Cl, Br and I) matlockite structure compounds. The interatomic interactions up to fourth nearest neighbors for the studied compounds are calculated. The zone-center raman and infrared phonon mode frequencies, elastic constants, bulk modulus B, shear modulus G, Young's modulus E, Poisson's coefficient, Debye temperature and sound velocity along [100], [110] and [001] directions have been calculated. It is observed that the studied BaFCl, BaFBr and BaFI compounds are stiffer in [100] direction than [001] crystallographic direction and the bulk modulus, shear modulus and Young's modulus of the studied compounds decrease in the order of BaFCl > BaFBr > BaFI. The obtained results are compared with the theoretical and experimental results. It is observed that the obtained results agree very well with the experimental and theoretical results available in the literature.
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页数：11
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