Charge transfer and ordering energy in a model binary alloy
- 1 July 1976
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 6 (7) , 1281-1296
- https://doi.org/10.1088/0305-4608/6/7/010
Abstract
Intra- and inter-atomic Coulomb interactions have been accounted for in the band theory of the order-disorder transition in binary alloys. The variation of the energy levels of the two kinds of atoms on the two sublattices is determined self-consistently using an extension of the coherent potential approximation (CPA). As an application, the authors investigate the role of the charge transfer in the order-disorder transition of CsCl type structure transitional alloys such as VMn, TiFe and ScCo.Keywords
This publication has 14 references indexed in Scilit:
- Electronic structure of TiFePhysical Review B, 1975
- Ordering and segregation processes in transition metal alloys in relation to their electronic structuresPhilosophical Magazine, 1975
- A calculation of the Coulomb correlation energy, U, for transition metals in Hubbard's modelJournal of Physics F: Metal Physics, 1974
- Order-disorder transition in a model binary alloyJournal of Physics F: Metal Physics, 1974
- Second-Order Phase Transition in a Model Random AlloyPhysical Review B, 1973
- Theory of Electrical Conductivity in Disordered Binary Alloys. The Effect ofHybridizationPhysical Review B, 1972
- Band model for order-disorder transition in equiatomic binary alloysSolid State Communications, 1972
- Short-Range Versus Long-Range Order in a Model Binary AlloyPhysical Review Letters, 1971
- Order-Disorder Phase Transition in Binary Alloys—Coherent Potential ApproximationPhysical Review Letters, 1970
- Moments developments and their application to the electronic charge distribution of d bandsJournal of Physics and Chemistry of Solids, 1970