Other Techniques for Calculating Semiconductor Band Structure

Author(s):  
Vurgaftman Igor

This chapter will expand our toolbox to include a few other techniques for calculating the band structure of a III–V semiconductor: the empirical tight-binding method, its effective bond-orbital form for zinc-blende materials, and the pseudopotential method. These methods allow the band structure over the full Brillouin zone to be described quantitatively using a limited set of parameters. It also answers the question of how easy it is to relate the parameters for each of the computational approaches to measurable quantities such as the gaps and effective masses.

1996 ◽  
Vol 195 (2) ◽  
pp. 415-424 ◽  
Author(s):  
M. Ferhat ◽  
A. Zaoui ◽  
M. Certier ◽  
B. Khelifa

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.


1990 ◽  
Vol 68 (3) ◽  
pp. 268-272 ◽  
Author(s):  
D. Aitelhabti ◽  
P. Vasilopoulos ◽  
J. F. Currie

Using the transfer-matrix method, we evaluate the exact normalized wave function analytically, the band structure, and the current density associated with an electron in a superlattice, with different or equal effective masses between wells and barriers. Also, we evaluate numerically the dispersion relation, the bandwidth, and the current density (in the tight-binding limit) for both equal and different effective masses between wells and barriers.


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.


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