Study of phonon dispersion and dynamical elastic constants for bcc binary molybdenum-niobium alloys

In the present manuscript, we have confirmed the credibility of our proposed pseudopotential extracted from the generalized pseudopotential theory, by carrying out lattice dynamical and lattice mechanical studies for bcc binary molybdenum and niobium alloys. Here, we have calculated phonon dispersion curves, phonon density of states and temperature variation of Debye temperature ( ) for Mo0.41 Nb0.59 alloy. In addition to that, we have obtained the values of dynamical elastic constants (C11, C12 and C44) for Mo0.339 Nb0.661 alloy. The acquired results are quite reassuring in comparison to the experimental data and other theoretical calculations.