scholarly journals The recurrent relations for the electronic band structure of the multilayer graphene

Author(s):  
V. N. Davydov

The structure of the electronic energy bands for stacked multilayer graphene is developed using the tight-binding approximation (TBA). The spectra of the Dirac electrons are investigated in vicinity of the Brillouin zone minima. The electron energy dependence on quasi-momentum is established for an arbitrary number of the graphene layers for multilayer graphene having even number of layers N  = 2 n , ( n  = 2, 3, 4, …) with the Bernal stacking ABAB … AB; or for odd number of layers N  = 2 n  + 1, ( n  = 1, 2, 3, …) with stacking ABAB … A. It is shown that four non-degenerate energy branches of the electronic energy spectrum are present for any number of layers. Degeneracy is considered of graphene-like energy branches with linear dispersion law. Dependences of such branches number and their degeneracy are found on number of layers. The recurrent relations are obtained for the electronic band structure of the stacked ABA…, ABC… and AAA… multilayer graphene. The flat electronic bands are obtained for ABC-stacked multilayer graphene near the K -point at the Fermi level. Such an approach may be useful in the study of multivarious aspects of graphene's physics and nanotechnologies. Also paper gives new hints for deeper studies of graphite intercalation compounds.

2013 ◽  
Vol 27 (25) ◽  
pp. 1350179
Author(s):  
NGUYEN NGOC HIEU ◽  
NGUYEN PHAM QUYNH ANH

In this paper, we fully describe the geometry of atomic structure of carbon nanotube with quinoid structure. Electronic energy band structure of carbon nanotubes with quinoid structure is studied by tight-binding approximation. In the presence of bond alternation, calculations show that only armchair (n, n) carbon nanotube (without twisting) remains metallic and zigzag (3ν - 1, -3ν + 1) CNT becomes metallic at the critical elongation. Effect of deformation on the change of band gap is also calculated and discussed.


2001 ◽  
Vol 79 (4) ◽  
pp. 749-756
Author(s):  
H F Hu ◽  
Y B Li ◽  
K L Yao

We have studied the energy band structure of polydiacetylenes (PDAs) using the extensional Hückel Hamiltonian that includes the nonnearest-neighbor hopping interactions. The results show that with increase in the nonnearest-neighbor hopping interaction parameters ρ1 and ρ2, (i) the energy band symmetry is broken and the energy gap 2Δ has changed, (ii) the locations and the widths of energy bands have changed and their shifts depend mainly on ρ1 (next-neighbor hopping interactions), and (iii) the energy gap 2Δ depends mainly on ρ2 (third-neighbor hopping interactions), the effects of the nonnearest-neighbor hopping interaction on the band structure are discussed. PACS No.: 31.15Ct


2019 ◽  
Vol 21 (9) ◽  
pp. 4695-4716 ◽  
Author(s):  
Pravin Popinand Ingole

Probing absolute electronic energy levels in semiconductor quantum dots (Q-dots) is crucial for engineering their electronic band structure and hence for precise design of composite nano-structure based devices.


1990 ◽  
Vol 210 ◽  
Author(s):  
P. Gomes Da Costa ◽  
M. Balkanski ◽  
R. F. WALLIS

AbstractThe effect of intercalated lithium on the electronic band structure of the γ-polytype of InSe has been investigated using a tight-binding method. The energy bands of the pure polytype were calculated and the results compared with previous work. The modifications of the energy bands produced by the introduction of one lithium atom per unit cell were calculated for the lowest potential energy position of the lithium atom in the Van der Waals gap between layers. The results for the changes in the smallest and next-to-smallest direct band gaps are compared with experimental data. An interpretation of a photoluminescence peak produced by lithium intercalation is given.


2005 ◽  
Vol 901 ◽  
Author(s):  
Gian Giacomo Guzman-Verri ◽  
Lok C. Lew Yan Voon ◽  
Morten Willatzen ◽  
Jens Gravesen

AbstractIn the present work we calculate the electronic band structure of single-wall helical carbon nanotubes following an effective-mass approach. We include curvature effects and strain due to bending in the band structure. The curvature energy ΔE, and the change in the electronic energy ΔEs due to strain, depend upon the coil pitch and coil diameter of the tube. We find 0.003 ≤|ΔE|≤ 1.3 eV and 0 ≤ΔEs ≤ 4.0 eV for the single-wall helical carbon nanotubes considered here.


2011 ◽  
Vol 2011 ◽  
pp. 1-6 ◽  
Author(s):  
Davood Fathi

The electronic band structure variations of single-walled carbon nanotubes (SWCNTs) using Huckle/tight binding approximation theory are studied. According to the chirality indices, the related expressions for energy dispersion variations of these elements are derived and plotted for zigzag and chiral nanotubes.


2013 ◽  
Vol 200 ◽  
pp. 123-128 ◽  
Author(s):  
Stepan Syrotyuk ◽  
Vira Shved

The spin-resolved electronic energy bands and partial and total density of states of cadmium oxide doped with Sc, Ti and Cr have been evaluated by means of the ABINIT code. The strong electron correlations of Cd 4d and transition element 3d states have been taken into account. It was found that the CdScO and CdTiO crystals are paramagnetic and CdCrO shows the ferromagnetic ordering.


Physica ◽  
1954 ◽  
Vol 3 (7-12) ◽  
pp. 967-970
Author(s):  
D JENKINS

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