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In this article we have reproduced the tight binding $\pi$ band dispersion of graphene including upto third nearest neighbours and also calculated the partial density of states (due to $\pi$ band only) within the same model. The aim was to…

Materials Science · Physics 2009-07-27 Rupali Kundu

We obtain the quasiparticle band structure of ABA and ABC-stacked graphene trilayers through ab initio density functional theory (DFT) and many-body quasiparticle calculations within the GW approximation. To interpret our results, we fit…

Mesoscale and Nanoscale Physics · Physics 2014-02-10 Marcos G. Menezes , Rodrigo B. Capaz , Steven G. Louie

The bands of graphite are extremely sensitive to topological defects which modify the electronic structure. In this paper we found non-dispersive flat bands no farther than 10 meV of the Fermi energy in slightly twisted bilayer graphene as…

Mesoscale and Nanoscale Physics · Physics 2010-12-21 E. Suárez Morell , J. D. Correa , P. Vargas , M. Pacheco , Z. Barticevic

In this paper we investigate the influence of the next-nearest-neighbor coupling of tight-binding model of graphene on the spectrum of plasmon excitations. The nearest-neighbor tight-binding model was previously used to calculate plasmon…

Mesoscale and Nanoscale Physics · Physics 2013-07-23 V. Kadirko , K. Ziegler , E. Kogan

The ab initio band structure of 2D graphene sheet is well reproduced by the third nearest neighbor tight binding model proposed by Reich et al [Phys. Rev. B 66, 035412]. For ribbon structures, the existing sets of tight binding parameters…

Mesoscale and Nanoscale Physics · Physics 2017-02-10 Van-Truong Tran , Jérôme Saint-Martin , Philippe Dollfus , Sebastian Volz

In our previous paper (Phys. Rev. B {\bf 89}, 165430 (2014)) we have found that in graphene, in distinction to the four occupied bands, which can be described by the simple tight-binding model (TBM) with four atomic orbitals per atom, the…

Mesoscale and Nanoscale Physics · Physics 2017-09-26 E. Kogan , V. M. Silkin

We show that the many-body features of graphene band structure and electronic response can be accurately evaluated by applying many-body perturbation theory to a tight-binding (TB) model. In particular, we compare TB results for the optical…

Atomic and Molecular Clusters · Physics 2025-06-10 Alberto Guandalini , Giovanni Caldarelli , Francesco Macheda , Francesco Mauri

The full three dimensional dispersion of the pi-bands, Fermi velocities and effective masses are measured with angle resolved photoemission spectroscopy and compared to first-principles calculations. The band structure by density-functional…

A detailed understanding of interacting electrons in twisted bilayer graphene (tBLG) near the magic angle is required to gain insights into the physical origin of the observed broken symmetry phases. Here, we present extensive atomistic…

Mesoscale and Nanoscale Physics · Physics 2020-07-02 Zachary A. H. Goodwin , Valerio Vitale , Xia Liang , Arash A. Mostofi , Johannes Lischner

We propose a general principle for the low-energy theory of narrow bands with concentrated Berry curvature and Fubini-Study metric in the form of a map to Anderson-"+" models composed of heavy fermions hybridizing and interacting with…

We introduce a minimum tight-binding model with only three parameters extracted from graphene and untwisted bilayer graphene. This model reproduces quantitatively the electronic structure of not only these two systems and bulk graphite near…

Mesoscale and Nanoscale Physics · Physics 2018-09-12 Xianqing Lin , David Tománek

We compare the classification of the electron bands in graphene, obtained by group theory algebra in the framework of tight-binding model (TBM), with that calculated in the density-functional theory (DFT) framework. Identification in the…

Mesoscale and Nanoscale Physics · Physics 2014-05-01 E. Kogan , V. U. Nazarov , V. M. Silkin , M. Kaveh

A perpendicular electric field breaks the layer symmetry of Bernal-stacked bilayer graphene, resulting in the opening of a band gap and a modification of the effective mass of the charge carriers. Using scanning tunneling microscopy and…

We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated by comparing to ab-initio density functional theory…

Materials Science · Physics 2020-12-25 Sergio Bravo , J. D. Correa , Leonor Chico , M. Pacheco

Twisted bilayer graphene provides a paradigmatic platform for exploring the interplay between electronic topology and strong correlations. Within the topological heavy fermion model [Song and Bernevig, Phys. Rev. Lett. 129, 047601 (2022)],…

Strongly Correlated Electrons · Physics 2026-04-17 Nemin Wei , Felix von Oppen , Leonid I. Glazman

We study quasi-particle transmission through an $n $-$p$ junction in a graphene irradiated by an electromagnetic field (EF). In the absence of EF the electronic spectrum of undoped graphene is gapless, and one may expect the perfect…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 M. V. Fistul , K. B. Efetov

Accurate modeling of the pi-bands of armchair graphene nanoribbons (AGNRs) requires correctly reproducing asymmetries in the bulk graphene bands as well as providing a realistic model for hydrogen passivation of the edge atoms. The commonly…

Mesoscale and Nanoscale Physics · Physics 2011-08-22 Timothy B. Boykin , Mathieu Luisier , Gerhard Klimeck , Xueping Jiang , Neerav Kharche , Yu Zhou , Saroj K. Nayak

We study the effect of electron-electron interactions in the quasiparticle dispersion of a graphene bilayer within the Hartree-Fock-Thomas-Fermi theory by using a four-bands model. We find that the electronic fluid can be described by a…

Strongly Correlated Electrons · Physics 2009-03-21 S. Viola Kusminskiy , D. K. Campbell , A. H. Castro Neto

A non-perturbative relativistic tight-binding (TB) approximation method applicable to crystalline material immersed in a magnetic field was developed in 2015. To apply this method to any material in the magnetic field, the electronic…

Materials Science · Physics 2023-11-27 Rohin Sharma , Amit Shrestha , Masahiko Higuchi , Katsuhiko Higuchi , Dipendra B. Hamal

We determine the effect of quasiparticle interference on the spatial variations of the local density of states (LDOS) in graphite in the neighborhood of an isolated impurity. A number of characteristic behaviors of interference are…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Cristina Bena , Steven A. Kivelson
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