Band structure calculation of the semiconductors and their alloys by Tight Binding Model using SciLab

2017 ◽  
Vol 49 (5) ◽  
pp. 287-294
Author(s):  
Pankaj Kumar ◽  
◽  
Ayush Kumar
Keyword(s):  
Band Structure ◽  
Tight Binding ◽  
Structure Calculation ◽  
Band Structure Calculation ◽  
Tight Binding Model ◽  
Binding Model

scholarly journals Tight-binding Central Interaction Model for the Band Structure of Silicon

1984 ◽  
Vol 37 (4) ◽  
pp. 407
Author(s):  
GP Betteridge
Keyword(s):  
Band Structure ◽  
Tight Binding ◽  
Interaction Model ◽  
Diamond Lattice ◽  
Nearest Neighbour ◽  
Tight Binding Model ◽  
Binding Model ◽  
Central Interaction

We consider a simple tight-binding model involving all interactions between first and second nearest-neighbour (n.n.) bonds in the diamond lattice. We show that the band structure may be solved analytically in the central approximation in which all second n.n. bond interactions of the same type, for example all bonding: bonding or all bonding: antibonding interactions, are considered equal. The k dependence of the solution is given in terms of the corresponding s-band eigenvalues, which are determined by the topology of the structure.

scholarly journals TIGHT-BINDING PARAMETERS FOR GRAPHENE

2011 ◽  
Vol 25 (03) ◽  
pp. 163-173 ◽  
Author(s):  
RUPALI KUNDU
Keyword(s):  
Band Structure ◽  
Density Of States ◽  
Nearest Neighbor ◽  
Tight Binding ◽  
Nearest Neighbors ◽  
Structure Calculation ◽  
Band Structure Calculation ◽  
First Principle ◽  
Binding Parameters ◽  
Band Dispersion

In this article, we have reproduced the tight-binding π band dispersion of graphene including up to third nearest-neighbors and also calculated the density of states of π band within the same model. The aim was to find out a set of parameters descending in order as distance towards third nearest-neighbor increases compared to that of first and second nearest-neighbors with respect to an atom at the origin. Here we have discussed two such sets of parameters by comparing the results with first principle band structure calculation.1

scholarly journals Possible Three-Dimensional Topological Insulator in Pyrochlore Oxides

Symmetry ◽  
2020 ◽  
Vol 12 (7) ◽  
pp. 1076
Author(s):  
Izumi Hase ◽  
Takashi Yanagisawa
Keyword(s):  
Band Structure ◽  
Topological Insulator ◽  
Nearest Neighbor ◽  
Tight Binding ◽  
Three Dimensional ◽  
Tight Binding Model ◽  
Coupling Constant ◽  
Binding Model ◽  
Effective Spin ◽  
Pyrochlore Oxides

A Kene–Mele-type nearest-neighbor tight-binding model on a pyrochlore lattice is known to be a topological insulator in some parameter region. It is an important task to realize a topological insulator in a real compound, especially in an oxide that is stable in air. In this paper we systematically performed band structure calculations for six pyrochlore oxides A2B2O7 (A = Sn, Pb, Tl; B = Nb, Ta), which are properly described by this model, and found that heavily hole-doped Sn2Nb2O7 is a good candidate. Surprisingly, an effective spin–orbit coupling constant λ changes its sign depending on the composition of the material. Furthermore, we calculated the band structure of three virtual pyrochlore oxides, namely In2Nb2O7, In2Ta2O7 and Sn2Zr2O7. We found that Sn2Zr2O7 has a band gap at the k = 0 (Γ) point, similar to Sn2Nb2O7, though the band structure of Sn2Zr2O7 itself differs from the ideal nearest-neighbor tight-binding model. We propose that the co-doped system (In,Sn)2(Nb,Zr)2O7 may become a candidate of the three-dimensional strong topological insulator.

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