High-temperature dynamical magnetic spin susceptibility of d-band metals

Abstract

A formalism for the temperature-dependent dynamical magnetic spin susceptibility of d-band metals is developed in the framework of the generalised non-local model potential approach. Using the Shaw-Harrison model wavefunction transformation the magnetic spin susceptibility is separated into two parts: one is caused by the non-nodal character of the model wavefunction (i.e. the free-electron contribution) and the other by the depletion hole associated with the ion core. The latter is responsible for the Bloch character of conduction electrons and includes the s-d hybridisation effects in the d-band metals. The depletion hole contribution is calculated by two different approaches: the first is exact depletion hole approach and the second the averaged depletion hole approach. The calculations are performed for the spin susceptibility of V metal. The values of the depletion hole contribution in both approaches are found to be nearly the same quantitatively as well as qualitatively and are about 46% of the free-electron value. The spin susceptibility decreases and the peaks are broadened with increase in the temperature. The calculated and the experimental values of bulk magnetic spin susceptibility show reasonably good agreement and emphasise the importance of the depletion hole contribution.