  First principles calculations were performed to study the structural,
elastic, and bonding properties of hcp ZrxTi1-x binary alloy. The special
quasi- random structure (SQS) method is employed to mimic the random hcp
ZrxTi1-x alloy. It is found that Bulk modulus, B, Young's modulus, E, and shear
modulus, G, exhibit decreasing trends as increasing the amount of Zr. A ductile
behavior ZrxTi1-x is predicted in the whole composition range. In terms of
Mulliken charge analisis, we found that the element Ti behaves much more
electronegative than Zr in hcp ZrxTi1-x alloy, and the charge transfer of an
atom is approximately linear to the amount of other element atom surrounding
it.
