Doping Dependence of the Band Structure and Chemical Potential in Cuprates by the Generalized Tight-Binding Method

2003 ◽  
Vol 17 (10n12) ◽  
pp. 479-486 ◽  
Author(s):  
A. A. Borisov ◽  
V. A. Gavrichkov ◽  
S. G. Ovchinnikov

Quasiparticle band structure in hole doped CuO2 layer is calculated with account for strong electron correlations in the framework of multiband p–d model. For undoped layer we obtain the charge-transfer antiferromagnetic insulator. With doping unusual impurity-like quasiparticle appears at the top of the valence band with spectral weight proportional to doping concentration. In the overdoped regime the band structure in the paramagnetic phase results in the doping dependent Fermi surface in agreement to ARPES data.

2020 ◽  
Vol 98 (5) ◽  
pp. 488-496
Author(s):  
H.J. Herrera-Suárez ◽  
A. Rubio-Ponce ◽  
D. Olguín

We studied the electronic band structure and corresponding local density of states of low-index fcc Ag surfaces (100), (110), and (111) by using the empirical tight-binding method in the framework of the Surface Green’s Function Matching formalism. The energy values for different surface and resonance states are reported and a comparison with the available experimental and theoretical data is also done.


1990 ◽  
Vol 42 (2) ◽  
pp. 1452-1454 ◽  
Author(s):  
Seong Jae Lee ◽  
Hahn Soo Chung ◽  
Kyun Nahm ◽  
Chul Koo Kim

2020 ◽  
Vol 22 (12) ◽  
pp. 6619-6625 ◽  
Author(s):  
Xuming Qin ◽  
Yi Liu ◽  
Gui Yang ◽  
Dongqiu Zhao

The origin of Dirac cone band structure of 6,6,12-graphyne is revealed by a “mirror symmetry parity coupling” mechanism proposed with tight-binding method combined with density functional calculations.


2002 ◽  
Vol 16 (19) ◽  
pp. 693-699 ◽  
Author(s):  
T. M. MISHONOV ◽  
J. P. WALLINGTON ◽  
E. S. PENEV ◽  
J. O. INDEKEU

A detailed Linear Combination of Atomic Orbitals (LCAO) tight-binding model is developed for the layered High-Temperature Superconductor (HTSC) cuprates. The band structure of these materials is described using a σ-band Hamiltonian employing Cu 4s, Cu 3dx2 - y2, O 2px and O 2py atomic orbitals. The Fermi level and the shape of the resulting Fermi surface are fitted to recent Angle Resolved Photon Emission Spectroscopy (ARPES) data to realistically determine the dispersion in the conduction band. Electron-electron interactions and, ultimately, Cooper pairing are obtained by introducing a Heitler–London, two-electron exchange between adjacent orbitals within the CuO 2 plane. Finally, using the LCAO wavefunctions determined by the band structure fit, the Bardeen–Cooper–Schrieffer (BCS) type kernel is derived for interatomic exchange.


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