LDA+DMFT study for $La_{1-x}Sr_{x}TiO_{3}$

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dc.creatorZoelfl, M. B.
dc.creatorPruschke, Th.
dc.creatorKeller, J.
dc.creatorPoteryaev, A. I.
dc.creatorNekrasov, I. A.
dc.creatorAnisimov, V. I.
dc.date1999-09-24
dc.date.accessioned2026-07-07T03:14:38Z
dc.date.available2026-07-07T03:14:38Z
dc.descriptionThe dynamical mean-field theory together with the non-crossing approximation is used to set up a novel scheme to study the electronic structure of strongly correlated electron systems. The non-interacting band structure is obtained from a density functional calculation within the local density approximation. With this method the doped Mott insulator $\rm La_{1-x}Sr_x Ti O_3$ is studied. Starting from first-principle calculations for a cubic and an orthorhombic system we determined the one-particle spectrum. Both one-particle spectra show a lower Hubbard band (seen as $d^1 \to d^o$ transitions in photo emission experiments), a Kondo resonance near the Fermi energy and the upper Hubbard band ($d^1\to d^2$ transitions in an inverse photoemission experiment). The upper Hubbard band develops a multipeak structure, a consequence of the consideration of all local two-particle correlations, which leads to the full multiplet structure in the atomic limit. The calculation for the orthorhombic system shows qualitative good agreement when compared with experimental photoemission spectra.
dc.description6 pages, 4 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/9909359
dc.identifierhttp://arxiv.org/abs/cond-mat/9909359
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/29748
dc.subjectStrongly Correlated Electrons
dc.subjectMaterials Science
dc.titleLDA+DMFT study for $La_{1-x}Sr_{x}TiO_{3}$
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