Elastic moduli and brittleness of diamondlike and zinc blende structured solids

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• 作者：A.S. Verma ; ^{ajay_phy@rediffmail.com} ; ^{ssvmtr@rediffmail.com}
• 关键词：Semiconductors ; Mechanical properties ; Bulk modulus ; Shear modulus
• 刊名：Materials Chemistry and Physics
• 出版年：2012
• 期刊代码：58_02540584
• 类别：ms
• 出版时间：16 July, 2012
• 卷：135
• 期：1
• 页码：106-111
• 文件大小：286 K

摘要

In this paper, semiempirical formulae for both bulk modulus (B in GPa) and shear modulus (G in GPa) of diamondlike and zinc blende (A^NB^8鈭扤) covalent solids are elaborated in terms of nearest neighbour distance (d in 脜), covalent fraction (f_c) and product of ionic charges (Z_aZ_c) of the bonding. The resulting expressions can be applied to a broad selection of covalent materials and their modulus predictions are in good agreement with the experimental data and those from ab initio calculations. Furthermore, the correlation between the ratio G/B and the aforementioned bonding parameters was investigated. The analysis of this relationship demonstrates that compared to the nearest neighbour distance (d in 脜), covalent fraction (f_c) and product of ionic charges (Z_aZ_c) are predominant parameters responsible for the brittle features of covalent materials.