Topic
Coherent potential approximation
About: Coherent potential approximation is a research topic. Over the lifetime, 1930 publications have been published within this topic receiving 36805 citations.
Papers published on a yearly basis
Papers
More filters
TL;DR: In this article, the average magnetic moments of Mn atoms dissolved in fcc Ni-Co alloys have been determined as a function of concentration of host alloys, and the measurements were made with alloys containing 2 atomic percent Mn at about 300 K and 100 K by means of diffuse scattering of polarized neutrons.
Abstract: The average magnetic moments of Mn atoms dissolved in fcc Ni–Co alloys have been determined as a function of concentration of host alloys. The measurements were made with alloys containing 2 atomic percent Mn at about 300 K and 100 K by means of diffuse scattering of polarized neutrons. The average magnetic moment of Mn, which is about 3 µ B in pure Ni, decreases with increasing Co concentration and changes its direction at about 50 atomic percent Co from parallel to antiparallel to the bulk magnetization of host alloys. This behavior agrees qualitatively with the theoretical results obtained under the assumption of the extended coherent potential approximation, but a quantitative discrepancy is found especially near Co concentration of about 20 to 40 atomic percent.
Posted Content•
TL;DR: In this article, the authors added an extra condition, original lattice symmetry of chosen cluster around cluster central site, to the cluster approximation methods with periodic boundary condition such as dynamical cluster approximation (DCA), effective medium approximation (EMSCA), and nonlocal coherent potential approximation (NLCPA).
Abstract: We added an extra condition, original lattice symmetry of chosen cluster around cluster central site, to the cluster approximation methods with periodic boundary condition such as dynamical cluster approximation (DCA), effective medium approximation (EMSCA) and nonlocal coherent potential approximation (NLCPA). For each cluster size, this condition leads to a unique cluster wave vectors set in the first Brillouin zone (FBZ) where they preserve full symmetry of first Brillouin zone around ${\bf K=0}$. In this case whole cluster wave vectors are restricted to the FBZ and when number of sites in the cluster is equal to the whole lattice sites, these approximations recover original lattice symmetry in real and k-spaces.
TL;DR: In this paper, the electron momentum density is obtained for a substitutionally disordered binary alloy, where the Hamiltonian of the single band alloy is assumed to have, in the tight-binding representation, no off-diagonal disorder.
Abstract: The electron momentum density is obtained, in the coherent potential approximation, for a substitutionally disordered binary alloy. The Hamiltonian of the single-band alloy is assumed to have, in the tight-binding representation, no off-diagonal disorder. The occupancies of the Bloch states, of the reference ordered Hamiltonian, are numerically evaluated for a BCC lattice with the off-diagonal part of the Hamiltonian having only nearest-neighbour-overlap terms. The results are presented for k along (100) and (111) directions.
TL;DR: In this paper, the Korringa-Kohn-Rostoker Green's function was used to investigate the electronic properties of the d -electrons of Ti(Zr) and Sc.
Abstract: The electronic properties of the Ti 1− x Sc x NiSn and Zr 1− x Sc x NiSn solid solutions were investigated using the Korringa–Kohn–Rostoker Green's function method within the coherent potential approximation. The calculations confirm the metallic type conductivity of the Sc content compounds as evidenced from electrical resistivity measurements and show that the main source of the electron conductivity originates from the d -electrons of Ti(Zr) and Sc.
01 Jan 1981
TL;DR: In this article, the density of states and spin susceptibility of TiFexCo1-x in the paramagnetic phase were investigated using an extension of the coherent potential approximation, and the results showed that the antistructure atoms for nearly ordered states can carry a local moment and could be the elements which determine ferromagnetism in the system.
Abstract: We investigate the density of states and the spin susceptibility of TiFexCo1-x in the paramagnetic phase. The partial densities of states are determined using an extension of the coherent potential approximation. The spin susceptibility of each component is calculated taking into account the electron-electron interaction via the molecular field. The results show that the antistructure atoms for nearly ordered states can carry a local moment and could be the elements which determine ferromagnetism in the system.