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Application of the new LDA+GTB method for the band structure calculation of n-type cuprates

✍ Scribed by M.M. Korshunov; S.G. Ovchinnikov; V.A. Gavrichkov; I.A. Nekrasov; Z.V. Pchelkina; V.I. Anisimov

Book ID
103886227
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
133 KB
Volume
378-380
Category
Article
ISSN
0921-4526

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LDA + GTB (generalized tight-b
LDA + GTB (generalized tight-binding) method for the electronic structure calculations of strongly correlated electron systems: Application for the band structure calculations of p-type cuprates
✍ Maxim M. Korshunov; Sergey G. Ovchinnikov πŸ“‚ Article πŸ“… 2007 πŸ› Elsevier Science 🌐 English βš– 238 KB

Mean-field theory of the non-superconducting phase of the high-T c cuprates is formulated within the effective t-t 0 -t 00 -J model with three-site correlated hoppings. This model with the ab initio calculated parameters results from the LDA + GTB method. The static spin and kinematical correlation