نتایج جستجو برای: kkr
تعداد نتایج: 154 فیلتر نتایج به سال:
-Electronic structure of fcc Ni-M (M = Ti, V, Cr, Mn, Fe, Co, Cu) and Cc-M (M = Cr, Mn, Fe) are calculated with KKR-CPA, in which the lattice constant as well as the charge and spin densities are determined self-consistently. The calculation well explains the observed magnetic properties of these alloys. Alloys among 3d transition metals show vari2 ety of magnetic properties. Alfhough many theo...
We calculated the magnetic Compton profiles (MCPs) of Ni using density functional theory supplemented by electronic correlations treated within dynamical mean-field (DMFT). present comparisons between theoretical and experimental MCPs. The MCPs were KKR method with perturbative spin-polarized T-matrix fluctuation exchange approximation DMFT solver, as well full potential linear augmented planew...
We calculate the electronic structure of 3d impurities in niobium and molybdenum. Our calculations rely on the local density approximation of density functional theory. Assuming a muffin-tin description of the atomic potentials, the impurity potential and the ones of the nearest neighbours are calculated self-consistently while the embedding of this perturbed cluster into the host is described ...
We study the optical plasmonic properties of metal surfaces which have a periodic lattice of voids buried immediately beneath their flat upper surface. Light reflection spectra calculated in the framework of a self-consistent electromagnetic multiple-scattering layer-KKR approach exhibit two types of plasmon resonances originating from the excitation of different plasmon modes: surface plasmon-...
We have studied the magnetization in the granular (Ni0.84Fe0.16)54(alumina)46 alloy. The thermomagnetization curve is found to obey the Bloch law. Spin wave stiffness constant D and the exchange constant A were calculated from the experimental results. The magnetic experimental measurements have been interpreted in the framework of random magnetic anisotropy (RMA) model. The results have shown ...
The radiative decay J/JI -t ~QIT~ has been observed in data taken with the Crystal Ball detector at the SPEAR e+estorage ring. In addition to the well-known n', the QUIT mass spectrum shows a broad enhancement centered at -1700 MeV. There is no explicit evidence for the 1(1440) in the QITIT mass spectrum. We find: BR(J/$ -+ yl)(l -+ nvv) BR(J/$ + vl)(l + KKr) < 0.5 (90% confidence level) . Talk...
We present some algorithms for improvements of band theory calculations based on the Korringa-KohnRostoker method and on the coherent potential approximation, in the cases of ordered metals and random alloys. The purpose of our work was to develop a code flexible enough to deal on equal footing with any lattice geometry. The algorithms proposed are designed to achieve an arbitrary accuracy and ...
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