D3z2-r2 orbital in high-Tc cuprates : Excitonic spectrum, metal-insulator phase diagram, optical conductivity, and orbital character of doped holes

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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Detail(s)

Original languageEnglish
Article number14530
Journal / PublicationPhysical Review B - Condensed Matter and Materials Physics
Volume84
Issue number1
Publication statusPublished - 11 Jul 2011
Externally publishedYes

Abstract

The single-site dynamical mean-field approximation is used to solve a model of high-Tc cuprate superconductors, which includes both d x2-y2 and d3z2-r2 orbitals on the Cu as well as the relevant oxygen states. Both T (with apical oxygen) and T (without apical oxygen) crystal structures are considered. In both phases, inclusion of the d3z2-r2 orbital is found to broaden the range of stability of the charge-transfer insulating phase. For equal charge-transfer energies and interaction strengths, the T phase is found to be less strongly correlated than the T phase. For both structures, d-d excitons are found within the charge-transfer gap. However, for all physically relevant dopings, the Fermi surface is found to have only one sheet and the admixture of d3z2-r2 into the ground-state wave function remains negligible (

Citation Format(s)

D3z2-r2 orbital in high-Tc cuprates : Excitonic spectrum, metal-insulator phase diagram, optical conductivity, and orbital character of doped holes. / Wang, Xin; Dang, Hung The; Millis, Andrew J.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 84, No. 1, 14530, 11.07.2011.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review