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Estimation of correlation energy and the exchange constant in yttrium barium copper oxides

โœ Scribed by S. Ramasesha


Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
350 KB
Volume
141
Category
Article
ISSN
0009-2614

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โœฆ Synopsis


The Hubbard on-site correlation energy U and the transfer energy t for the electron hop between the copper dx?-+ and the overlapping p orbital of the nearest-neighbour oxygen atom are estimated based on the XPS results on these compounds. Using these parameters, it is predicted that the BIS spectra should show a peak around 2 eV. The strength of the exchange interaction between the copper atoms is estimated to be 0. I4 eV in the planes and 0.07 eV in the chains, correct to fourth order in perturbation theory for a half-filled d,? _,"I band.


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