Elastic properties of Mg < inf> x Ti < inf> 1-x B < inf> 2 (07FTYJO first-principles calculations
Document Type
Article
Publication Date
3-25-2011
Abstract
The elastic properties, including elastic constants, bulk, and shear moduli, and anisotropic index of hexagonal MgxTi1-xB 2 (0 ≤ x ≤ 1) are obtained using a first-principles density-functional-theory method. A difference in chemical bonding occurs between Ti-rich and Mg-rich diborides, leading to significantly different elastic properties: a small elastic anisotropy with relatively large bulk and shear moduli for Ti-rich diborides with x < 0.25, and a large elastic anisotropy and relatively small bulk and shear moduli for Mg-rich diborides with x > 0.25. The calculated results reveal a dominant role of the interplanar metal-metal bonds in predicting the extent of shear elastic anisotropy in MgxTi1-xB2 (0 ≤ x ≤ 1). © 2011 American Physical Society.
Publication Title
Physical Review B - Condensed Matter and Materials Physics
Recommended Citation
Groh, D.,
Slough, W.,
Pandey, R.,
Karna, S.,
&
Dandekar, D.
(2011).
Elastic properties of Mg < inf> x Ti < inf> 1-x B < inf> 2 (07FTYJO first-principles calculations.
Physical Review B - Condensed Matter and Materials Physics,
83(11).
http://doi.org/10.1103/PhysRevB.83.115122
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/10040