Cluster studies of the electronic structure of Cu-O chains in high-temperature superconductors

H. Chen; J. Callaway; P. K. Misra

doi:10.1103/PhysRevB.36.8863

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Cluster studies of the electronic structure of Cu-O chains in high-temperature superconductors

H. Chen, J. Callaway, P. K. Misra

DOI 10.1103/PhysRevB.36.8863 · Physical Review B

T1

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Abstract

The electronic structure of Cu-O chains present in the crystal structure of high-temperature superconductors typified by YBa2Cu3O7 is investigated by means of self-consistent local-spin-density calculations for a cluster of Ba4Cu2O7 in different charge states. No magnetic moments are found on the Cu ions. The nature of the chemical bonding in the cluster is discussed on the basis of the calculated charge density.

Source-reported materials — not catalogue approval

Formula	Reported Tc (K)	Pressure (GPa)	Type
YBa2Cu3O7 Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown
La2CuO4-y Archive — visibility unverified Source-occurrence policy only; no material identity or catalogue acceptance is inferred from the formula.	—	Pressure not reported	unknown