First-principles study of the elastic properties of OsWB and ReWB alloys
Abstract
By using first-principles calculations, we studied the structure and elastic properties of Os xW 1- xB 2 and Re xW 1- xB 2 alloys ( x=0.1∼0.9) in the ReB 2 structure. It was found that Re 0.4W 0.6B 2 has both high bulk modulus (360 GPa) and high shear modulus (291 GPa). There is a pseudogap at the Fermi level, which indicates that the Re 0.4W 0.6B 2 is stable. The superior elastic property suggests the Re 0.4W 0.6B 2 is desired as a potential hard material.
- Publication:
-
Solid State Communications
- Pub Date:
- February 2011
- DOI:
- 10.1016/j.ssc.2010.11.023
- Bibcode:
- 2011SSCom.151..238T