Electronic Structure of Carbon Fibers based on C60

1992 ◽  
Vol 247 ◽  
Author(s):  
Riichiro Saito ◽  
Mitsutaka Fujita ◽  
G. Dresselhaus ◽  
M. S. Dresselhaus
Keyword(s):  
Carbon Fibers ◽  
Tight Binding ◽  
Electronic Energy ◽  
Rotational Axis ◽  
Structure Model ◽  
Energy Bands ◽  
Binding Model ◽  
One Dimensional ◽  
Band Structure Model ◽  
Bucky Ball

ABSTRACTThe electronic structures of some possible carbon fibers nucleated from the hemisphere of a bucky ball are presented. A one-dimensional electronic energy band structure model of such carbon fibers, having not only a principal rotational axis but also fibers with screw axes, can be derived by folding the two-dimensional energy bands of graphite. By considering the variation of the fiber diameter and helicity within a simple tight binding model calculation, we show that 1/3 of the fibers are metallic and 2/3 are semiconducting. The effect of adding multiple tubule layers is considered.

ON THE COUPLING BETWEEN ELECTRONS AND SOFT-MODE PHONONS IN La2CuO4

1990 ◽  
Vol 04 (07) ◽  
pp. 489-496 ◽  
Author(s):  
Z. K. PETRU ◽  
N. M. PLAKIDA
Keyword(s):  
Fermi Energy ◽  
Soft Mode ◽  
Tight Binding ◽  
Electronic Energy ◽  
Tight Binding Model ◽  
Energy Bands ◽  
Phonon Modes ◽  
Binding Model ◽  
Bond Bending ◽  
Electronic Energy Bands

An interaction between soft bond-bending phonon modes and localized 3d – 2p electrons is considered. Its strength is estimated to be of the order of 1 eV/Å. By means of the tight-binding model, the electronic energy bands of La 2 CuO 4 are calculated. It is explicitly shown that a tetragonal to orthorhombic transition does not open a gap at the Fermi energy.

scholarly journals Optoelectronic properties of one-dimensional molecular chains simulated by a tight-binding model

AIP Advances ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 015127
Author(s):  
Qiuyuan Chen ◽  
Jiawei Chang ◽  
Lin Ma ◽  
Chenghan Li ◽  
Liangfei Duan ◽  
...  
Keyword(s):  
Tight Binding ◽  
Optoelectronic Properties ◽  
Tight Binding Model ◽  
Binding Model ◽  
One Dimensional

scholarly journals A minimal tight-binding model for the quasi-one-dimensional superconductor K2Cr3As3

2019 ◽  
Vol 21 (6) ◽  
pp. 063027 ◽  
Author(s):  
Giuseppe Cuono ◽  
Carmine Autieri ◽  
Filomena Forte ◽  
Maria Teresa Mercaldo ◽  
Alfonso Romano ◽  
...  
Keyword(s):  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model ◽  
One Dimensional

scholarly journals Localization properties of a one-dimensional tight-binding model with nonrandom long-range intersite interactions

2005 ◽  
Vol 71 (17) ◽  
Author(s):  
F. A. B. F. de Moura ◽  
A. V. Malyshev ◽  
M. L. Lyra ◽  
V. A. Malyshev ◽  
F. Domínguez-Adame
Keyword(s):  
Long Range ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model ◽  
One Dimensional

scholarly journals Chemical Functionalization Effects on Cubane-Based Chain Electronic Transport

2015 ◽  
Vol 2015 ◽  
pp. 1-6 ◽  
Author(s):  
Konstantin P. Katin ◽  
Mikhail M. Maslov
Keyword(s):  
Electronic Transport ◽  
Functional Group ◽  
Tight Binding ◽  
Covalent Bonding ◽  
Single Type ◽  
Narrow Gap ◽  
Binding Model ◽  
Doping Density ◽  
One Dimensional ◽  
Structure Calculations

We report electronic structure calculations in chemically functionalized linear cubane-based chains. The effects of covalent chemical attachments on chain transport properties are examined with nonorthogonal tight-binding model (NTBM) considering Landauer-Büttiker formalism. The covalent bonding of even a single-type functional group is shown to considerably alter the conductance of the chain. For similar radical doping density, electronic characteristics are found to range from insulator to narrow-gap semiconductor depending on the nature of the covalent bonding. Therefore it has become possible to tune electronic properties of the cubane-based one-dimensional oligomers by the functionalization for nanoelectronic applications.

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