English

Electronic States in Two-Dimensional Triangular Cobalt Oxides: Role of Electronic Correlation

Strongly Correlated Electrons 2009-11-10 v2 Superconductivity

Abstract

We obtain the electronic states and structures of two-dimensional cobalt oxides, Nax_{x}CoO2_{2} (x=0, 0.35, 0.5 and 0.75) by utilizing the full-potential linear muffin-tin orbitals (FP-LMTO) methods, from which some essential electronic interaction parameters are estimated: the bare on-site Coulomb interaction of cobalt Udd_{dd}=7.5 eV renormalizes to 5 eV for x=0.35, the pdpd hybridizations tpdσ_{pd\sigma} and tpdπ_{pd\pi} are -1.40 and 0.70 eV, respectively. The density of states at EF_{F} decreases from 6-7 states/eV in the local density approximation (LDA) to about 1.0 states/eV in the LDA+U scheme. The role of the intercalation of water molecules and the microscopic mechanism of the superconductivity in Na0.35_{0.35}CoO2_{2}\cdotmH2_{2}O is discussed.

Keywords

Cite

@article{arxiv.cond-mat/0307560,
  title  = {Electronic States in Two-Dimensional Triangular Cobalt Oxides: Role of Electronic Correlation},
  author = {Liang-Jian Zou and J. -L. Wang and Z. Zeng},
  journal= {arXiv preprint arXiv:cond-mat/0307560},
  year   = {2009}
}

Comments

minor errors corrected

R2 v1 2026-07-22T10:52:50.514Z