Linear electron-hole-electron pair model of high-temperature superconductivity in La/sub 2/minus/x/M/sub x/CuO/sub 4/ and LBa/sub 2/Cu/sub 3/O/sub 7/minus/y/. Small copper pain formation in linear Cu/sup 2+/ - O-Cu/sup 3+/ - O-Cu/sub 2+/ units via concerted breathing mode vibration

Journal Article · Wed Jul 13 00:00:00 EDT 1988 · Inorg. Chem.; (United States)

DOI:https://doi.org/10.1021/ic00287a004· OSTI ID:5783258

Whangbo, M H; Canadell, E; Evain, M; Williams, J M

Band electronic structure calculations were undertaken to try to explain the structure of Cu-O linkages in the superconductors containing Ba/sub 2/Cu/sub 3/O/sub 7/minus/y//sup 3/minus// slab. The removal of a bridging 01 atom between two planar four-coordinate Cu1 sites was found to destroy two holes in the CuO/sub 3/ chain but tope create two holes in the CuO/sub 2/ chain but to create two holes in the CuO/sub 2/ layers. Removal of a bridging O1 atom between planar three- and four-coordinate Cu1 sites was noted to destroy one hole in the CuO/sub 3/ chain and does not change the number of holes in the CuO/sub 2/ layer. Thus the number of holes in the whole YBa/sub 2/Cu/sub 3/O/sub 7/minus/y/ lattice or that in the CuO/sub 2/ layers can remain unchanged for a range of y values. This accounts for the nonsuperconducting , semiconducting, and antiferromagnetic properties of YBa/sub 2/Cu/sub 3/O/sub 7/minus/y/ for y greater than 0.5. 22 references.

• Research Organization: North Carolina Univ., Raleigh (USA)
• DOE Contract Number: FG05-86ER45259; W-31-109-ENG-38
• OSTI ID: 5783258
• Journal Information: Inorg. Chem.; (United States), Vol. 27:14
• Country of Publication: United States
• Language: English

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