منابع مشابه
Electronic structure and magnetic interactions
– We present results of all-electron electronic structure calculations for the recently discovered d electron heavy fermion compound LiV2O4. The augmented spherical wave calculations are based on density functional theory within the local density approximation. The electronic properties near the Fermi energy originate almost exclusively from V 3d t2g states, which fall into two equally occupied...
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CeAl2 has attracted considerable attention because of its unusual properties including a proposed competition between Kondo compensation and anti-ferromagnetic spin-density wave ordering observed at low temperatures. Here we present results of a self-consistent spin-polarized LMTO band study of CeA^. In its paramagnetic state the Ce-f band is about 1 eV wide and, although principally above Ej.,...
متن کاملElectronic structure and magnetic anisotropy of CrO2
The problem of importance of strong correlations for the electronic structure, transport, and magnetic properties of half-metallic ferromagnetic CrO2 is addressed by performing density functional electronic structure calculations in the local spin density approximation sLSDAd as well as using the LSDA1U method. It is shown that the corresponding low-temperature experimental data are best fitted...
متن کاملElectronic Structure Dan Waddill, Chairman Electronic structure and magnetic properties of Ni clusters
A systematic study on the ground state electronic structure and magnetic properties of Nin ~n 52 – 39 and 55! clusters are performed using the density functional calculation with the local spin-density approximation. The binding energy per atom increases monotonically. The occupation numbers do not change significantly for n.8, which helps us to understand the experimental observation of the ph...
متن کاملMagnetic alloys , their electronic structure and micromagnetic and microstructural models
We present a selective review of electronic structure calculations for ferromagnetic transition metal alloys. This is work based on the spin density functional theory of the inhomogeneous electron gas which we also discuss briefly. These calculations can be used to provide estimates, from ‘first principles’, of the alloys’ characteristic properties such as the saturation magnetization, Ms , and...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2002
ISSN: 0163-1829,1095-3795
DOI: 10.1103/physrevb.65.144445