scholarly journals Tight binding studies on the electronic structure of graphene nanoribbons

2009 ◽  
Vol 58 (10) ◽  
pp. 7156
Author(s):  
Hu Hai-Xin ◽  
Zhang Zhen-Hua ◽  
Liu Xin-Hai ◽  
Qiu Ming ◽  
Ding Kai-He
Keyword(s):  
Electronic Structure ◽  
Graphene Nanoribbons ◽  
Tight Binding ◽  
Binding Studies

Accurate Tight-Binding Studies of Antiferromagnetic States in La2CuO4

1988 ◽  
Vol 141 ◽  
Author(s):  
W. E. Pickett ◽  
D. A. Papaconstantopoulos
Keyword(s):  
Electronic Structure ◽  
Band Structure ◽  
Spin Polarization ◽  
Tight Binding ◽  
Antiferromagnetic State ◽  
Exchange Field ◽  
Exchange Splitting ◽  
Binding Studies ◽  
Large Anisotropy ◽  
D Orbitals

AbstractAn accurate tight-binding parametrization of the electronic structure of La2CuO4 is used to investigate the effects of spin polarization of the Cu ion on the band structure and magnetic moment in the antiferromagnetic state. It is found that when an exchange splitting on the d(x2-y2) orbitals is imposed, a gap in the spectrum is obtained, whereas no gap is found if the splitting is imposed on all of the d orbitals or even on both d(x2 -y2) and d(z2) orbitals. This result suggests large anisotropy of the exchange field on the Cu ion.

Tight-Binding Approximation Calculation on the Electronic Structure of Graphene and Graphene Nanoribbons

2013 ◽  
Vol 341-342 ◽  
pp. 199-203 ◽  
Author(s):  
Hong Xia Wang ◽  
Cheng Lai Yang ◽  
You Zhang Zhu ◽  
Ni Chen Yang
Keyword(s):  
Electronic Structure ◽  
Energy Gap ◽  
Graphene Nanoribbons ◽  
Tight Binding ◽  
Periodic Boundary Conditions ◽  
Tight Binding Approximation ◽  
Width Direction ◽  
Armchair Graphene Nanoribbons ◽  
Approximation Calculation ◽  
Armchair Graphene

The electronic structure expression of graphene was derived using tight-binding approxi-mation method. According to periodic boundary conditions in width direction of graphene nanorib-bons wave vector, the electronic structure analytical expression of armchair graphene nanoribbons was deduced, and the energy band curve were given. The conditions of graphene nanoribbons being metal or semiconductor were obtained. The results show that when nanoribbons width meetsL=3na/2, the energy gap is zero and armchair graphene nanoribbons behave as the metallic. With the increase of the nanoribbons width, the energy gap of semiconducting nanoribbons decreases. The electronic properties of graphene nanoribbons are closely related to their geometry. The graphene nanoribbons can be modulated into metal or semiconductor with different band gap by controlling their width.

Charge transfer in secondary-ion emission: Tight-binding studies in Si and Si:O clusters

1987 ◽  
Vol 35 (16) ◽  
pp. 8330-8340 ◽  
Author(s):  
M. C. G. Passeggi ◽  
E. C. Goldberg ◽  
J. Ferrón
Keyword(s):  
Charge Transfer ◽  
Tight Binding ◽  
Binding Studies ◽  
Secondary Ion Emission ◽  
Ion Emission ◽  
Secondary Ion
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