Effects of excess or deficiency of oxygen content on the electronic structure of high-$T_C$ cuprates

T. Jarlborg; A. Bianconi; B. Barbiellini; R. S. Markiewicz; A. Bansil

doi:10.1007/s10948-013-2142-3

paper

Effects of excess or deficiency of oxygen content on the electronic structure of high- $T_{C}$ cuprates

arXiv:1304.3565 · doi:10.1007/s10948-013-2142-3

Abstract

Band structure calculations are presented for large supercells of Ba $_{2}$ CuO $_{4}$ (BCO) with O-vacancies in planar or apic al positions, and of superoxygenated La $_{2}$ CuO $_{4}$ (LCO) with oxygen interstitials in the La $_{2}$ O $_{2}$ layers. It is foun d that apical oxygen vacancies in BCO act as electron dopants and makes the electronic structure similar to that of hole doped LCO. Excess oxygen interstitials forming wires in the La $_{2}$ O $_{2}$ layers of LCO are shown to yield a much larger density-of-states at the Fermi energy than for the stoichiometric compound related with a segmentation of the Fermi surface. Anti-ferromagnetic (AFM) spin fluctuations are strengthened by O-vacancies in BCO as well as by oxygen interstitials in LCO, but are strongly suppressed in O-deficient LCO. Our results indicate the complexity of doping by O-vacancies, and by ordered defects that are a significant factor contr olling the electronic properties of cuprates.

5 pages, 3 figures, Proceedings Superstripe 2012 Conference, Erice July 2012

Effects of excess or deficiency of oxygen content on the electronic structure of high- $T_{C}$ cuprates

Abstract

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Effects of excess or deficiency of oxygen content on the electronic structure of high-TC​ cuprates

Abstract

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Cited by in corpus (3)

Effects of excess or deficiency of oxygen content on the electronic structure of high- $T_{C}$ cuprates