Environment-Dependent Tight-Binding Potential Model

ABSTRACTWe have developed a tight-binding model which goes beyond the traditional two-center approximation and allows the tight-binding parameters to scale according to the bonding environment. Our studies show that this environment-dependent tight-binding model improves remarkably the accuracy and transferability of the potential to describe the structures and properties of higher coordinated metallic systems in addition to those of low coordinated covalent systems.

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A tight‐binding model for calculations of structures and properties of graphitic nanotubes

The Journal of Chemical Physics ◽

10.1063/1.471211 ◽

1996 ◽

Vol 104 (12) ◽

pp. 4652-4656 ◽

Cited By ~ 58

Author(s):

Jose Molina Molina ◽

S. S. Savinsky ◽

N. V. Khokhriakov

Keyword(s):

Tight Binding ◽

Tight Binding Model ◽

Binding Model ◽

Structures And Properties

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A Tight-Binding Theory of the Electronic Structures for Rhombohedral Semimetals and Sb/GaSb, Sb/AlSb Superlattices

MRS Proceedings ◽

10.1557/proc-325-487 ◽

1993 ◽

Vol 325 ◽

Author(s):

J.H. Xu ◽

E.G. Wang ◽

C.S. Ting ◽

W.P. Su

Keyword(s):

Electronic Structures ◽

Tight Binding ◽

Interface State ◽

Orbit Interaction ◽

Spin Orbit ◽

Tight Binding Model ◽

Binding Theory ◽

Binding Parameters ◽

Binding Model ◽

Group V

AbstractThe band structures of three group-V semimetals As, Sb, and Bi with rhombohedral A7 symmetry are studied using a second-neighbor tight-binding model including spin-orbit interaction with an sp3s* basis. Then the bulk tight-binding parameters are used to investigate the electronic properties of semimetal-semiconductor superlattices made of alternating (111) layers of Sb and GaSb or AlSb. It is found that the band gap can be adjustable depending primarily on the thickness of the Sb layers. An interface state is observed in the region of the gap.

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HOLE STATES LOCALIZED AT TYPE II HETEROINTERFACE

International Journal of Nanoscience ◽

10.1142/s0219581x03001504 ◽

2003 ◽

Vol 02 (06) ◽

pp. 411-417 ◽

Cited By ~ 3

Author(s):

M. O. NESTOKLON

Keyword(s):

Tight Binding ◽

Type Ii ◽

Spin Orbit ◽

Tight Binding Model ◽

Binding Parameters ◽

Binding Model ◽

Orbit Splitting ◽

Semiconductor Interface ◽

Spin Orbit Splitting ◽

Tight Binding Method

A theory of Tamm-like hole states at type II heterointerface has been developed for zink-blende semiconductors. The consideration has been carried out in the microscopic tight-binding model with allowance made for the spin-orbit splitting of the valence band. It has been demonstrated that the tight-binding method describes Tamm-like hole states at type II semiconductor interface. Localization energy dependence on interface tight-binding parameters has been analyzed.

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