The X~U-SW-VB model has been applied to compute the singlet-triplet separation in the model complex [ (OH),Cu(p-0 )Cu( OH),] 6-whose geometric and bonding parameters were fixed at the values observed in the crystal strncture of YBaZCu#\_v. The calculations show that a strong antiferromagnetic inter
Electronic states and metal–insulator transition in the triangular lattice d–p model for layered cobaltates
✍ Scribed by Yoshiaki Ōno
- Publisher
- Elsevier Science
- Year
- 2007
- Tongue
- English
- Weight
- 148 KB
- Volume
- 460-462
- Category
- Article
- ISSN
- 0921-4534
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✦ Synopsis
We investigate the electronic state of the 11 band d-p model on the two-dimensional triangular lattice simulating a CoO 2 plane in the layered cobalt oxides such as Na x CoO 2 and Na x CoO 2 AE yH 2 O. The tight-binding parameters are determined so as to fit the LDA band structure. Using the slave boson approach together with the 1/N expansion method, we obtain the renormalized quasiparticle bands, where the a 1g band with a large hole Fermi surface is largely renormalized due to the strong correlation effect, while the e 0 g bands with six hole pockets are almost unchanged. We also discuss the metal-insulator transition (MIT) with varying the d-p charge transfer energy D, and find that the MIT takes place at a critical value D c = 4.01 eV.
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