Zobrazeno 1 - 5
of 5
pro vyhledávání: '"S. Yu. Ezhov"'
Publikováno v:
Physical Review Letters. 83:4136-4139
We present the results of an LDA and LDA+U band structure study of the monoclinic and the corundum phases of V2O3 and argue that the most prominent (spin 1/2) models used to describe the semiconductor metal transition are not valid. Contrary to the g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bdaa735d2c0a126934a7d6b91099872c
https://doi.org/10.1103/physrevlett.83.4136
https://doi.org/10.1103/physrevlett.83.4136
Publikováno v:
Europhysics Letters (EPL). 44:491-497
We present a band structure study of orbital polarization and ordering in the two-dimensional triangular lattice transition metal compounds LiVO_2 and NaTiO_2. It is found that while in NaTiO_2 the degeneracy of t_{2g} orbitals is lifted due to the t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fe8fc136a0ceee3153cddfe28c35c0a3
https://doi.org/10.1209/epl/i1998-00499-9
https://doi.org/10.1209/epl/i1998-00499-9
Publikováno v:
Physical Review B. 55:12829-12832
The ordered alloy La_2Li_{0.5}Cu_{0.5}O_4 is found to be a band insulator in local density approximation (LDA) calculations with the unoccupied conduction band having predominantly d_{x^2-y^2}-symmetry and substantial weight in O 2p-orbitals. This is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8cd3746438197c801fb910f26823bbd5
https://doi.org/10.1103/physrevb.55.12829
https://doi.org/10.1103/physrevb.55.12829
Publikováno v:
Physical Review Letters. 76:1735-1738
Adding the local Coulomb repulsion to the local density approximation, the so-called $\mathrm{LDA}+U$ scheme, leads us to predict a first order transition from a singlet semiconductor to ferromagnetic metal in FeSi with increasing magnetic field. Ext
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bd43e20d8f8d5647db0069530cb42cb7
https://doi.org/10.1103/physrevlett.76.1735
https://doi.org/10.1103/physrevlett.76.1735
Publikováno v:
Physical review. B, Condensed matter. 54(8)
The electronic structure of the perovskite ${\mathrm{LaCoO}}_{3}$ for different spin states of Co ions was calculated in the local-density approximation LDA+U approach. The ground state is found to be a nonmagnetic insulator with Co ions in a low-spi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7eb8fd7129074d6035c2236b0772a8c
https://pubmed.ncbi.nlm.nih.gov/9986488
https://pubmed.ncbi.nlm.nih.gov/9986488