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Effects of edge magnetism and external electric field on energy gaps in multilayer graphene nanoribbons  [PDF]
Bhagawan Sahu,Hongki Min,Sanjay K. Banerjee
Physics , 2010, DOI: 10.1103/PhysRevB.82.115426
Abstract: Using first-principles density-functional theory, we study the electronic structure of multilayer graphene nanoribbons as a function of the ribbon width and the external electric field, applied perpendicular to the ribbon layers. We consider two types of edges (armchair and zigzag), each with two edge alignments (referred to as alpha- and beta-alignments). We show that, as in monolayer and bilayer armchair nanoribbons, multilayer armchair nanoribbons exhibit three classes of energy gaps which decrease with increasing width. Nonmagnetic multilayer zigzag nanoribbons have band structures that are sensitive to the edge alignments and the number of layers, indicating different magnetic properties and resulting energy gaps. We find that energy gaps can be induced in ABC-stacked ribbons with a perpendicular external electric field while in other stacking sequences, the gaps decrease or remain closed as the external electric field increases.
In-plane electric polarization of bilayer graphene nanoribbons by interlayer bias voltage  [PDF]
Ryo Okugawa,Junya Tanaka,Takashi Koretsune,Susumu Saito,Shuichi Murakami
Physics , 2015, DOI: 10.1103/PhysRevLett.115.156601
Abstract: We theoretically show that an interlayer bias voltage in the AB-stacked bilayer graphene nanoribbons with armchair edges induces an electric polarization along the ribbon. Both tight-binding and ab initio calculations consistently indicate that when the bias voltage is weak, the polarization shows opposite signs depending on the ribbon width modulo three. This nontrivial dependence is explained using a two-band effective model. A strong limit of the bias voltage in the tight-binding model shows either one-third or zero polarization, which agrees with topological argument.
An Ab Initio Study on Energy Gap of Bilayer Graphene Nanoribbons with Armchair Edges  [PDF]
Kai-Tak Lam,Gengchiau Liang
Physics , 2008, DOI: 10.1063/1.2938058
Abstract: Dependency of energy bandgap (Eg) of bilayer armchair graphene nanoribbons (AGNRB) on their widths, interlayer distance (D) and edge doping concentration of boron/nitrogen is investigated using local density approximation and compare to the results of monolayer graphene nanoribbons (AGNRM). Although Eg of AGNRB, in general, is smaller than that of AGNRM, AGNRB exhibits two distinct groups, metal and semiconductor, while AGNRM displays purely semiconducting behavior. Eg of AGNRB, moreover, is highly sensitive to D, indicating a possible application in tuning Eg by varying D. Finally, edge doping of both AGNR systems reduces Eg by 11-17%/4-10% for AGNRM/AGNRB, respectively.
Instabilities of the AA-stacked graphene bilayer  [PDF]
A. L. Rakhmanov,A. V. Rozhkov,A. O. Sboychakov,Franco Nori
Physics , 2011, DOI: 10.1103/PhysRevLett.109.206801
Abstract: Tight-binding calculations predict that the AA-stacked graphene bilayer has one electron and one hole conducting bands, and that the Fermi surfaces of these bands coincide. We demonstrate that as a result of this degeneracy, the bilayer becomes unstable with respect to a set of spontaneous symmetry violations. Which of the symmetries is broken depends on the microscopic details of the system. We find that antiferromagnetism is the more stable order parameter. This order is stabilized by the strong on-site Coulomb repulsion. For an on-site repulsion energy typical for graphene systems, the antiferromagnetic gap can exist up to room temperatures.
Effect of Layer-Stacking on the Electronic Structure of Graphene Nanoribbons  [PDF]
Neerav Kharche,Yu Zhou,Kevin P. O'Brien,Swastik Kar,Saroj K. Nayak
Physics , 2011, DOI: 10.1021/nn200941u
Abstract: The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals interactions. Multilayer armchair GNRs (AGNRs), similar to single-layer AGNRs, exhibit three classes of band gaps depending on their width. In zigzag GNRs (ZGNRs), the geometry relaxation resulting from interlayer interactions plays a crucial role in determining the magnetic polarization and the band structure. The antiferromagnetic (AF) interlayer coupling is more stable compared to the ferromagnetic (FM) interlayer coupling. ZGNRs with the AF in-layer and AF interlayer coupling have a finite band gap while ZGNRs with the FM in-layer and AF interlayer coupling do not have a band gap. The ground state of the bi-layer ZGNR is non-magnetic with a small but finite band gap. The magnetic ordering is less stable in multilayer ZGNRs compared to single-layer ZGNRs. The quasipartcle GW corrections are smaller for bilayer GNRs compared to single-layer GNRs because of the reduced Coulomb effects in bilayer GNRs compared to single-layer GNRs.
Dynamical conductivity of AA-stacked bilayer graphene  [PDF]
Calvin J. Tabert,Elisabeth J. Nicol
Physics , 2012, DOI: 10.1103/PhysRevB.86.075439
Abstract: We calculate the dynamical conductivity of AA-stacked bilayer graphene as a function of frequency and in the presence of a finite chemical potential due to charging. Unlike the monolayer, we find a Drude absorption at charge neutrality in addition to an interband absorption with onset of twice the interlayer hopping energy. At finite doping, the interband absorption exhibits two edges which depend on both chemical potential and interlayer hopping energy. We study the behaviour as a function of varying chemical potential relative to the interlayer hopping energy scale and compute the partial optical sum. The results are contrasted with the previously published case of AB-stacking. While we focus on in-plane conductivity, we also provide the perpendicular conductivity for both AB and AA stacking. We also examine conductivity for other variations with AA-stacking, such as AAA-stacked trilayer. Based on proposed models for topological insulators discussed in the literature, we also consider the effect of spin orbit coupling on the optical properties of an AA-stacked bilayer which illustrates the effect of an energy gap opening at points in the band structure.
Gapped phase in AA stacked bilayer graphene  [PDF]
L. Brey,H. A. Fertig
Physics , 2012, DOI: 10.1103/PhysRevB.87.115411
Abstract: AA-stacked bilayer graphene supports Fermi circles in its bonding and antibonding bands which coincide exactly, leading to symmetry-breaking in the presence of electron-electron interactions. We analyze a continuum model of this system in the Hartree-Fock approximation, using a self-consistently screened interaction that accounts for the gap in the spectrum in the broken symmetry state. The order parameter in the groundstate is shown to be of the Ising type, involving transfer of charge between the layers in opposite directions for different sublattices. We analyze the Ising phase transition for the system, and argue that it continuously evolves into a Kosterlitz-Thouless transition in the limit of vanishing interlayer separation $d$. The transition temperature is shown to depend only on the effective spin stiffness of the system even for $d>0$, and an estimate its value suggests the transition temperature is of order a few degrees Kelvin.
Comment on "Dielectric screening and plasmons in AA-stacked bilayer graphene"  [PDF]
Yawar Mohammadi
Physics , 2014,
Abstract: In this comment we show that some equations and results of the paper titled "Dielectric screening and plasmons in AA-stacked bilayer graphene" are not correct. Furthermore, we present our results which seems to be more correct.
Spectrum of pi electrons in bilayer graphene nanoribbons and nanotubes: an analytical approach  [PDF]
J. Ruseckas,G. Juzeliunas,I. V. Zozoulenko
Physics , 2010, DOI: 10.1103/PhysRevB.83.035403
Abstract: We present an analytical description of pi electrons of a finite size bilayer graphene within a framework of the tight-binding model. The bilayered structures considered here are characterized by a rectangular geometry and have a finite size in one or both directions with armchair- and zigzag-shaped edges. We provide an exact analytical description of the spectrum of pi electrons in the zigzag and armchair bilayer graphene nanoribbons and nanotubes. We analyze the dispersion relations, the density of states, and the conductance quantization.
Dielectric screening and plasmons in AA-stacked bilayer graphene  [PDF]
Rafael Roldan,Luis Brey
Physics , 2013, DOI: 10.1103/PhysRevB.88.115420
Abstract: The screening properties and collective excitations (plasmons) in AA-stacked bilayer graphene are studied within the random phase approximation (RPA). Whereas long lived plasmons in single layer graphene and in AB-stacked bilayer graphene can exist only in doped samples, we find that coherent plasmons can disperse in AA-stacked bilayer graphene {\it even in the absence of doping}. Moreover, we show that the characteristic low energy dispersion relation is unaffected by changes in the number of carriers, unless the chemical potential of the doped sample exceeds the inter-layer hopping energy. We further consider the effect of an external electric field applied perpendicular to the layers, and show how the dispersion of the modes can be tuned by the application of a gate voltage.
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