Many-body formulation of the antiferromagnetism of chromium alloys

摘要: A tight-binding formulation of the many-body enhanced paramagnetic spin susceptibility derived within local-density approximation is applied to antiferromagnetism Cr alloys. The effects alloying on band structures are modelled by a Slater-Koster version coherent-potential and matrix elements computed directly using an averaged linear-combination-of-atomic-orbitals treatment. Antiferromagnetic ordering ground state, manifested spin-density wave non-zero vector, predicted when zero-temperature static exhibits singularity for that vector. spin-density-wave vectors this method dilute Cr1-xVx Cr1-xMnx alloys in good agreement with neutron scattering measurements as functions impurity concentration. For larger concentrations impurities, predictions magnetic order can be made alternate cubic other 3d transition metals, whose novel structural phases might stabilized alloying. In case Cr1-xMnx, ferromagnetism x=0.5. Stabilization Cr1-xMnx>0.5 simple BCC crystal structure could permit experimental test earlier prediction delta -Mn.