In:
MRS Proceedings, Springer Science and Business Media LLC, Vol. 141 ( 1988)
Abstract:
The constrained density functional approach is used to calculate the energy surface as a function of local charge fluctuations in La 2 CuO 4 . This energy surface is then mapped onto a self consistent mean field solution of the Hubbard model which allows extraction of the Coulomb interaction parameters when combined with oneelectron parameters derived from band structure results. The present calculations indicate that La 2 CuO 4 is intermediate between the extreme spin or charge fluctuation regimes. This severly restricts the range of parameter space for theories of quasiparticles, optical excitations and possible pairing mechanism based on the extended Hubbard model.
Type of Medium:
Online Resource
ISSN:
0272-9172
,
1946-4274
Language:
English
Publisher:
Springer Science and Business Media LLC
Publication Date:
1988
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