Issue Information
روزنامه با شماره پیاپی سال 2013
Pages
4
From page
46
To page
49
Abstract
Using hybrid density functional theory, we investigated the structural, electronic and elastic properties of the C14 NbCr2 Laves phase under different hydrostatic pressures. Our results for the structural properties are consistent with calculated and experimental results. The analysis of the density of states and the charge difference density are used to determine the underlying structural evolution that occurs under applied pressure. Hexagonal NbCr2 is mechanically stable according to the elastic stability criteria and exhibits low ductility according to the B/G ratio. Moreover, the elastic properties, including the elastic constants and elastic moduli are studied in detail.
Journal title
Acta Tropica
Serial Year
2013
Journal title
Acta Tropica
Record number
1751401
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