Tight-binding model and electronic structure of tetrahedral zirconium silicate

2001 ◽  
Vol 90 (9) ◽  
pp. 4570-4577 ◽  
Author(s):  
John R. Jameson ◽  
Walter Harrison ◽  
P. B. Griffin
Keyword(s):  
Electronic Structure ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model ◽  
Zirconium Silicate

Tight-Binding Model for DNA Double Chains: Metal–Insulator Transition Due to the Formation of a Double Strand of DNA

1997 ◽  
Vol 11 (20) ◽  
pp. 2405-2423 ◽  
Author(s):  
Kazumoto Iguchi
Keyword(s):  
Electronic Structure ◽  
Finite Temperature ◽  
Deoxyribonucleic Acid ◽  
Recent Observation ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Metal Insulator Transition ◽  
Binding Model ◽  
Metal Insulator ◽  
System A

A tight-binding model is formulated for the calculation of the electronic structure of a double strand of deoxyribonucleic acid (DNA). The theory is applied to DNA with a particular structure such as the ladder and decorated ladder structures. It is found that there is a novel type of metal–insulator transitions due to the hopping anisotropy of the system. A metal-semimetal-semiconductor transition is found in the former and an effective semiconductor-metal transition at finite temperature in the latter, as the effect of base paring between two strands of DNA is increased. The latter mechanism may be responsible for explaining the Meade and Kayyem's recent observation.

scholarly journals Kajian Electronic Structure pada ZnO Nanoparticles Menggunakan Ionization Energy-Tight Binding Model

2018 ◽  
Vol 3 (1) ◽  
pp. 38-47
Author(s):  
Yuda Prima Hardianto ◽  
Ahmad Taufiq ◽  
Arif Hidayat ◽  
Sunaryono Sunaryono ◽  
H. N. Ulya
Keyword(s):  
Electronic Structure ◽  
Zno Nanoparticles ◽  
Ionization Energy ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model

Electronic structure of finite or infinite systems in the tight-binding model with overlap

1989 ◽  
Vol 39 (18) ◽  
pp. 13175-13186 ◽  
Author(s):  
Roland Riedinger ◽  
Mustapha Habar ◽  
Louise Stauffer ◽  
Hugues Dreyssé ◽  
Pierre Léonard ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model ◽  
Infinite Systems

Tight-binding model for electronic structure of hexagonal boron phosphide monolayer and bilayer

2019 ◽  
Vol 31 (28) ◽  
pp. 285501 ◽  
Author(s):  
Ying Wang ◽  
Changbao Huang ◽  
Dong Li ◽  
Ping Li ◽  
Jiangying Yu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model ◽  
Boron Phosphide

Effects of Molecular Orientational Disorder on the Electronic Structure of K3C60: With the Inclusion of the Tangentially Directed C σ-Orbital

1998 ◽  
Vol 12 (32) ◽  
pp. 3521-3528
Author(s):  
Jing Lu ◽  
Xiangeng Zhao ◽  
Xinwei Zhang ◽  
Liyuan Zhang
Keyword(s):  
Electronic Structure ◽  
Fermi Level ◽  
Conduction Band ◽  
Density Of States ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Orientational Disorder ◽  
Binding Model ◽  
Distance Dependence ◽  
Orbital Approximation

Effects of molecular orientational disorder on the electronic structure of K3C60 are studied using a tight-binding model in which both the 2s and 2p orbitals of C atoms are taken into account. Nearly free of the cut-off distance of the interculster interaction and the form of the distance dependence of the hopping parameters, the orientational disorder always smears out the structure in the conduction-band density of states (DOS), while the value of the DOS at the Fermi level (N(E F )) changes slightly upon disordering. These results are in excellent agreement with the earlier ones based on the single molecular orbital approximation.

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