Band structure of ternary-compound semiconductors using a modified tight-binding method

1990 ◽  
Vol 42 (2) ◽  
pp. 1452-1454 ◽  
Author(s):  
Seong Jae Lee ◽  
Hahn Soo Chung ◽  
Kyun Nahm ◽  
Chul Koo Kim
Keyword(s):  
Band Structure ◽  
Ternary Compound ◽  
Tight Binding ◽  
Compound Semiconductors ◽  
Tight Binding Method

Electronic band structure of silver low-index surfaces: a tight-binding study

2020 ◽  
Vol 98 (5) ◽  
pp. 488-496
Author(s):  
H.J. Herrera-Suárez ◽  
A. Rubio-Ponce ◽  
D. Olguín
Keyword(s):  
Band Structure ◽  
Density Of States ◽  
Electronic Band Structure ◽  
Local Density ◽  
Tight Binding ◽  
Theoretical Data ◽  
Binding Study ◽  
Local Density Of States ◽  
Electronic Band ◽  
Tight Binding Method

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.

Mirror symmetry origin of Dirac cone formation in rectangular two-dimensional materials

2020 ◽  
Vol 22 (12) ◽  
pp. 6619-6625 ◽  
Author(s):  
Xuming Qin ◽  
Yi Liu ◽  
Gui Yang ◽  
Dongqiu Zhao
Keyword(s):  
Band Structure ◽  
Mirror Symmetry ◽  
Density Functional ◽  
Tight Binding ◽  
Coupling Mechanism ◽  
Two Dimensional ◽  
Dirac Cone ◽  
Two Dimensional Materials ◽  
Tight Binding Method ◽  
Cone Formation

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.

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
Keyword(s):  
Band Structure ◽  
Chemical Potential ◽  
Tight Binding ◽  
Spectral Weight ◽  
Strong Electron ◽  
Strong Electron Correlations ◽  
Tight Binding Method ◽  
Arpes Data ◽  
D Model ◽  
Quasiparticle Band

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.

Tight-Binding Hamiltonians for Carbon and Silicon

1997 ◽  
Vol 491 ◽  
Author(s):  
D. A. Papaconstantopoulos ◽  
M. J. Mehl ◽  
S. C. Erwin ◽  
M. R. Pederson
Keyword(s):  
Band Structure ◽  
Total Energy ◽  
Elastic Constants ◽  
First Principles ◽  
Equations Of State ◽  
Tight Binding ◽  
First Principles Calculations ◽  
Energy Bands ◽  
Tight Binding Method ◽  
Correct Energy

ABSTRACTWe demonstrate that our tight-binding method - which is based on fitting the energy bands and the total energy of first-principles calculations as a function of volume - can be easily extended to accurately describe carbon and silicon. We present equations of state that give the correct energy ordering between structures. We also show that quantities that were not fitted, such as elastic constants and the band structure of C60, can be reliably obtained from our scheme.

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