Journal
MATERIALS CHEMISTRY AND PHYSICS
Volume 135, Issue 1, Pages 106-111Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.matchemphys.2012.04.029
Keywords
Semiconductors; Mechanical properties; Bulk modulus; Shear modulus
Categories
Funding
- University Grant Commission, New Delhi, India [PH/08/0049]
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In this paper, semiempirical formulae for both bulk modulus (B in GPa) and shear modulus (G in GPa) of diamondlike and zinc blende (A(N)B(8-N)) covalent solids are elaborated in terms of nearest neighbour distance (d in angstrom), covalent fraction (f(c)) and product of ionic charges (Z(a)Z(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 GIB and the aforementioned bonding parameters was investigated. The analysis of this relationship demonstrates that compared to the nearest neighbour distance (d in angstrom), covalent fraction (f(c)) and product of ionic charges (Z(a)Z(c)) are predominant parameters responsible for the brittle features of covalent materials. (C) 2012 Elsevier B.V. All rights reserved.
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