Effects of chemical composition and B2 order on phonons in bcc Fe–Co alloys
Journal of Applied Physics
The phonon density of states ͑DOS͒ gives insight into interatomic forces and provides the vibrational entropy, making it a key thermodynamic function for understanding alloy phase transformations. Nuclear resonant inelastic x-ray scattering and inelastic neutron scattering were used to measure the chemical dependence of the DOS of bcc Fe-Co alloys. For the equiatomic alloy, the A2 → B2 ͑chemically disordered→ chemically ordered͒ phase transformation caused measurable changes in the phonon
... in the phonon spectrum. The measured change in vibrational entropy upon ordering was −0.02Ϯ 0.02 k B /atom, suggesting that vibrational entropy results in a reduction in the orderdisorder transition temperature by 60Ϯ 60 K. The Connolly-Williams cluster inversion method was used to obtain interaction DOS ͑IDOS͒ curves that show how point and pair variables altered the phonon DOS of disordered bcc Fe-Co alloys. These IDOS curves accurately captured the change in the phonon DOS and vibrational entropy of the B2 ordering transition.