Elastic Properties of ABF3 (A: Ag, K and B: Mg, Zn) Perovskites

被引：9
作者：
Ahmed, Doaa A. A. [1 ]
Bagci, S. [1 ]
Karaca, E. [2 ]
Tutuncu, H. M. [1 ,2 ]
机构：
[1] Sakarya Univ, Fen Edebiyat Fak, Fiz Bolumu, TR-54187 Adapazari, Turkey
[2] Sakarya Univ, BIMAYAM Biyomed Manyet & Yariiletken Malzemeler A, TR-54187 Adapazari, Turkey
来源：
TURKISH PHYSICAL SOCIETY 34TH INTERNATIONAL PHYSICS CONGRESS (TPS34) | 2018年 / 2042卷
关键词：
CO; NI; CONSTANTS; CRYSTALS; MN;
D O I：
10.1063/1.5078907
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The structural and physical properties of ABF3 fluoro-perovskites (A: alkali metals and B: alkaline arth metals) have been studied by several research groups both theoretically and experimentally in recent years. The structural and elastic properties of AgMgF3, AgZnF3, KMgF3 and KZnF3 compounds have been calculated by using generalized gradient approximation within the density functional theory in this study. The obtained cubic elastic constants of KMgF3, C11(150.42 GPa), C12(42.69 GPa) and C44(49.99 GPa), are in very good agreement with the experimental results of 138.00, 43.60 and 49.83 GPa, respectively. Additionally, the shear modulus, Young's modulus, Poisson's ratio and Lame's coefficients for all studied compounds are also calculated and discussed in detail. Furthermore, the fact that the elastic properties of AgMgF3 will be presented for the first time in this study makes our work more interesting.
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页数：4
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