Application of modified analytical embedded atom method to the study of lattice vibration in bcc transitional metals

The phonon dispersion curve of four bcc transition metals—(fe), (W), (Mo), and (Cr)—along the principal symmetry [1,0,0], [1,1,1], and [1,1,0] of the Brillouin Zone (BZ) up to the second nearest neighbors is reproduced using the modified analytical embedded atom method (MAEAM) in conjunction with the theory of lattice dynamics. The results obtained are consistent with experimental results, and for all the bcc transition metals taken into consideration, the force constants generated with the MAEAM indicate that the force constants corresponding to the second nearest neighbors were less than the force constants corresponding to the first nearest neighbors. Additionally, the elements of the force constant matrix along φxy, φxz, and φyz are all zero (0). All of the resulting dynamical matrices are diagonal. The generated dispersion curves correlate well with the experimentally generated ones. This demonstrates that the MAEAM is a very dependable instrument for researching the lattice dynamics in bcc transition metals when combined with the theory of lattice dynamics.