scholarly journals Electronic properties of bilayer sheets forming moiré patterns

2021 ◽  
Vol 24 (1) ◽  
pp. 13701
Author(s):  
W.S. Wu-Mei ◽  
R.R. Rey-González

In this article, we report the electronic band structures of hexagonal bilayer systems, specifically, rotated graphene-graphene and boron nitride-boron nitride bilayers, by introducing an angle between the layers and forming new periodic structures, known as moiré patterns. Using a semi-empirical tight-binding approach with a parametrized hopping parameter between the layers, using one orbital per-site approximation, and taking into account nearest-neighbor interactions only, we found he electronic dispersion relations to be around K points in a low energy approximation. Our results show that graphene bilayers exhibit zero band gap for all angles tested in this work. In boron nitride bilayers, the results reveal a tunable bandgap that satisfies the prediction of the bandgap found in one-dimensional diatomic systems presented in the literature.

1989 ◽  
Vol 173 ◽  
Author(s):  
Oliver H. Leblanc ◽  
Margaret L. Blohm ◽  
Richard P. Messmer

ABSTRACTTransfer integrals (tij) between pairs of nearest neighbor ET molecules were calculated by an ab initio method. Tight-binding one-electron energy bands constructed from the tij are similar to those previously calculated by Mori and by Whangbo and their coworkers by semi-empirical, extended Hückel methods, but quite different from those found by Kübler et al. in β-(ET)2I3 using the augmented spherical wave (ASW) method. However, all these band models are suspect. The Hubbard on-site repulsion parameter U is estimated to be about twice the band widths, indicating that a full treatment of the Hubbard hamiltonian is needed. Also, polaron effects appear to control transport except at very low temperature.


2017 ◽  
Vol 31 (14) ◽  
pp. 1750106
Author(s):  
Zahra Karimi Ghobadi ◽  
Aliasghar Shokri ◽  
Sonia Zarei

In this work, the influence of boron atom impurity is investigated on the electronic properties of a single-wall carbon nanotube superlattice which is connected by pentagon–heptagon topological defects along the circumference of the heterojunction of these superlattices. Our calculation is based on tight-binding [Formula: see text]-electron method in nearest-neighbor approximation. The density of states (DOS) and electronic band structure in presence of boron impurity has been calculated. Results show that when boron atom impurity and nanotube atomic layers have increased, electronic band structure and the DOS have significant changes around the Fermi level.


2015 ◽  
Vol 54 (4) ◽  
pp. 044102 ◽  
Author(s):  
Ronghua Zhu ◽  
Huimin Xie ◽  
Minjin Tang ◽  
Chuanwei Li ◽  
Dan Wu

Nature ◽  
1957 ◽  
Vol 180 (4583) ◽  
pp. 425-427 ◽  
Author(s):  
J. F. GOODMAN

2017 ◽  
Vol 34 (10) ◽  
pp. 1746 ◽  
Author(s):  
Saifollah Rasouli ◽  
Mohammad Yeganeh

2011 ◽  
Vol 25 (14) ◽  
pp. 1877-1888
Author(s):  
RUPALI KUNDU

We have investigated the effects of in-plane and interplane nearest neighbor overlap integrals (s0 and [Formula: see text]) and the site energy difference (Δ) between atoms in two different sublattices in the same graphene layer on the electronic dispersion of bilayer graphene within tight binding model. We then extended the calculation to include the in-plane next nearest neighbor interactions (γ1, s1) and next to next nearest neighbor interactions (γ2, s2) for bilayer graphene bands. It is observed that [Formula: see text] introduces further asymmetry in energy values of top conduction band and bottom valence band at the K point in addition to the asymmetry due to Δ. In general there is noticeable electron–hole asymmetry in the slope of the bands away from the K point, and also the changes in band widths due to [Formula: see text] as well as the other in-plane coupling parameters. The density of states of bilayer graphene has also been calculated within the same model.


2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Alex Summerfield ◽  
Andrew Davies ◽  
Tin S. Cheng ◽  
Vladimir V. Korolkov ◽  
YongJin Cho ◽  
...  

Abstract Graphene grown by high temperature molecular beam epitaxy on hexagonal boron nitride (hBN) forms continuous domains with dimensions of order 20 μm, and exhibits moiré patterns with large periodicities, up to ~30 nm, indicating that the layers are highly strained. Topological defects in the moiré patterns are observed and attributed to the relaxation of graphene islands which nucleate at different sites and subsequently coalesce. In addition, cracks are formed leading to strain relaxation, highly anisotropic strain fields, and abrupt boundaries between regions with different moiré periods. These cracks can also be formed by modification of the layers with a local probe resulting in the contraction and physical displacement of graphene layers. The Raman spectra of regions with a large moiré period reveal split and shifted G and 2D peaks confirming the presence of strain. Our work demonstrates a new approach to the growth of epitaxial graphene and a means of generating and modifying strain in graphene.


2019 ◽  
Vol 99 (3) ◽  
Author(s):  
Andrea Tomadin ◽  
Marco Polini ◽  
Jeil Jung

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