Electronic and Structural Properties of a 4d-Perovskite: Cubic Phase of SrZrO$_3$

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dc.creatorMete, E.
dc.creatorShaltaf, R.
dc.creatorEllialtioglu, S.
dc.date2003-04-30
dc.date.accessioned2026-07-07T02:51:06Z
dc.date.available2026-07-07T02:51:06Z
dc.descriptionFirst-principles density functional calculations are performed within the local density approximation to study the electronic properties of SrZrO$_3$, an insulating 4d-perovskite, in its high-temperature cubic phase, above 1400 K, as well as the generic 3d-perovskite SrTiO$_3$, which is also a d^0-insulator and cubic above 105 K, for comparison reasons. The energy bands, density of states and charge density distributions are obtained and a detailed comparison between their band structures is presented. The results are discussed also in terms of the existing data in the literature for both oxides.
dc.description5 pages, 2 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0304703
dc.identifierhttp://arxiv.org/abs/cond-mat/0304703
dc.identifierPhys. Rev. B 68, 035119 (2003)
dc.identifierdoi:10.1103/PhysRevB.68.035119
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/21330
dc.subjectStrongly Correlated Electrons
dc.titleElectronic and Structural Properties of a 4d-Perovskite: Cubic Phase of SrZrO$_3$
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