Electronic structure and properties of YBa2Cu4O8

Jaejun Yu, Key Taeck Park, Arthur J Freeman

Research output: Contribution to journalArticle

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Abstract

The electronic structure and properties of the new high-Tc superconductor, YBa2Cu4O8 (called Y124), have been determined using the local-density full potential linearized augmented plane wave method. Despite the additional layer of Cu(1)-O(1) chains relative to YBa2Cu3O7 (called Y123): (i) the band structure at and near EF is simplified with the absence of the Cu(1)-O(1) dpπ band which plagued the Y123 results; (ii) the Fermi surface is also simplified, shows greater nestings, but still cannot be represented by a simple nearest neighbor tight-binding Hamiltonian model; (iii) the density of states of EF is one-half of that in Y123 (in good agreement with experiment). Further, as a result of (i) and (iii) together with the lower Madelung potential at the O(1) sites, which leads to the higher binding energy for O(1) the Cu(1)-O(1) chains are now stable and Y124 should be stable in its oxygen stoichiometry - as its observed.

Original languageEnglish
Pages (from-to)467-476
Number of pages10
JournalPhysica C: Superconductivity and its Applications
Volume172
Issue number5-6
DOIs
Publication statusPublished - Jan 1 1991

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Hamiltonians
Fermi surface
Binding energy
Stoichiometry
Electronic properties
Band structure
Superconducting materials
Electronic structure
Oxygen
electronic structure
Fermi surfaces
stoichiometry
plane waves
binding energy
Experiments
oxygen
barium copper yttrium oxide

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Electronic structure and properties of YBa2Cu4O8. / Yu, Jaejun; Park, Key Taeck; Freeman, Arthur J.

In: Physica C: Superconductivity and its Applications, Vol. 172, No. 5-6, 01.01.1991, p. 467-476.

Research output: Contribution to journalArticle

Yu, Jaejun ; Park, Key Taeck ; Freeman, Arthur J. / Electronic structure and properties of YBa2Cu4O8. In: Physica C: Superconductivity and its Applications. 1991 ; Vol. 172, No. 5-6. pp. 467-476.
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