Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach

Udo Schwingenschlögl, Cosima B. Schuster, Raymond Frésard

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

Motivated by a RIXS study of Wakimoto, et al.(Phys. Rev. Lett., 102 (2009) 157001) we use density functional theory to analyze the magnetic order in the nickelate La5/3Sr1/3NiO4 and the details of its crystal and electronic structure. We compare the generalized gradient approximation to the hybrid functional approach of exact exchange for correlated electrons (EECE). In contrast to the former, the latter reproduces the insulating state of the compound and the midgap states. The EECE approach, in general, appears to be appropriate for describing stripe phases in systems with orbital degrees of freedom. Copyright © EPLA, 2009.
Original languageEnglish (US)
Pages (from-to)67008
JournalEPL (Europhysics Letters)
Volume88
Issue number6
DOIs
StatePublished - Jan 4 2010

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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