Abstract
We report ab initio calculations of positron wave functions in the high-T/sub c/ superconductors YBa/sub 2/Cu/sub 3/O/sub 7/, Bi/sub 2/Sr/sub 2/CaCu/sub 2/O/sub 8/, and Tl/sub 2/Ba/sub 2/CaCu/sub 2/O/sub 8/ using the general potential linearized augmented plane-wave method. The calculated positron wave functions are fairly insensitive to whether or not electron-positron correlation is included in the calculation for YBa/sub 2/Cu/sub 3/O/sub 7/ and Tl/sub 2/Ba/sub 2/CaCu/sub 2/O/sub 8/, but the calculated positron density is quite sensitive to correlation in Bi/sub 2/Sr/sub 2/CaCu/sub 2/O/sub 8/. While the positron wave function samples primarily the chain region in YBa/sub 2/Cu/sub 3/O/sub 7/, the results indicate that positrons should be good probes of the Cu-O layer-derived electronic states near the Fermi energy in Tl/sub 2/Ba/sub 2/CaCu/sub 2/O/sub 8/ since a large overlap with these states is predicted.
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