The electronic properties of graphene

doi:10.1103/REVMODPHYS.81.109

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The electronic properties of graphene

Journal Article•DOI•

The electronic properties of graphene

A. H. Castro Neto¹, Francisco Guinea², Nuno M. R. Peres³, Kostya S. Novoselov⁴, Andre K. Geim⁴ - Show less +1 more•Institutions (4)

Boston University¹, Spanish National Research Council², University of Minho³, University of Manchester⁴

14 Jan 2009-Reviews of Modern Physics (American Physical Society)-Vol. 81, Iss: 1, pp 109-162

TL;DR: In this paper, the basic theoretical aspects of graphene, a one-atom-thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations, are discussed.

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Abstract: This article reviews the basic theoretical aspects of graphene, a one-atom-thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations. The Dirac electrons can be controlled by application of external electric and magnetic fields, or by altering sample geometry and/or topology. The Dirac electrons behave in unusual ways in tunneling, confinement, and the integer quantum Hall effect. The electronic properties of graphene stacks are discussed and vary with stacking order and number of layers. Edge (surface) states in graphene depend on the edge termination (zigzag or armchair) and affect the physical properties of nanoribbons. Different types of disorder modify the Dirac equation leading to unusual spectroscopic and transport properties. The effects of electron-electron and electron-phonon interactions in single layer and multilayer graphene are also presented.

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Designing band gap of graphene by B and N dopant atoms

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Pooja Rani¹, V. K. Jindal¹•Institutions (1)

Panjab University, Chandigarh¹

24 Sep 2012-arXiv: Mesoscale and Nanoscale Physics

TL;DR: Ab initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet by varying the concentrations of dopants from 2 % to 12 % (six dopant atoms in 50 atoms host atoms) and also by considering different doping sites for the same concentration of substitutional doping as discussed by the authors.

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Abstract: Ab-initio calculations have been performed to study the geometry and electronic structure of boron (B) and nitrogen (N) doped graphene sheet. The effect of doping has been investigated by varying the concentrations of dopants from 2 % (one atom of the dopant in 50 host atoms) to 12 % (six dopant atoms in 50 atoms host atoms) and also by considering different doping sites for the same concentration of substitutional doping. All the calculations have been performed by using VASP (Vienna Ab-initio Simulation Package) based on density functional theory. By B and N doping p-type and n-type doping is induced respectively in the graphene sheet. While the planar structure of the graphene sheet remains unaffected on doping, the electronic properties change from semimetal to semiconductor with increasing number of dopants. It has been observed that isomers formed differ significantly in the stability, bond length and band gap introduced. The band gap is maximum when dopants are placed at same sublattice points of graphene due to combined effect of symmetry breaking of sub lattices and the band gap is closed when dopants are placed at adjacent positions (alternate sublattice positions). These interesting results provide the possibility of tuning the band gap of graphene as required and its application in electronic devices such as replacements to Pt based catalysts in Polymer Electrolytic Fuel Cell (PEFC).

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279 citations

Journal Article•DOI•

An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm

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Yanchao Wang¹, Maosheng Miao, Jian Lv, Li Zhu, Ketao Yin, Hanyu Liu, Yanming Ma¹ - Show less +3 more•Institutions (1)

Jilin University¹

12 Dec 2012-Journal of Chemical Physics

TL;DR: A structure prediction method for layered materials based on two-dimensional (2D) particle swarm optimization algorithm is developed and a new family of mono-layered boron nitride structures with different chemical compositions is predicted.

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Abstract: A structure prediction method for layered materials based on two-dimensional (2D) particle swarm optimization algorithm is developed. The relaxation of atoms in the perpendicular direction within a given range is allowed. Additional techniques including structural similarity determination, symmetry constraint enforcement, and discretization of structure constructions based on space gridding are implemented and demonstrated to significantly improve the global structural search efficiency. Our method is successful in predicting the structures of known 2D materials, including single layer and multi-layer graphene, 2D boron nitride (BN) compounds, and some quasi-2D group 6 metals(VIB) chalcogenides. Furthermore, by use of this method, we predict a new family of mono-layered boron nitride structures with different chemical compositions. The first-principles electronic structure calculations reveal that the band gap of these N-rich BN systems can be tuned from 5.40 eV to 2.20 eV by adjusting the composition.

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278 citations

Journal Article•DOI•

Titanium Trisulfide Monolayer: Theoretical Prediction of a New Direct‐Gap Semiconductor with High and Anisotropic Carrier Mobility

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Jun Dai¹, Xiao Cheng Zeng¹•Institutions (1)

University of Nebraska–Lincoln¹

22 Jun 2015-Angewandte Chemie

TL;DR: The desired electronic properties render the TiS3 monolayer a promising 2D atomic-layer material for applications in future nanoelectronics.

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Abstract: A new two-dimensional (2D) layered material, namely, titanium trisulfide (TiS3) monolayer, is predicted to possess novel electronic properties. Ab initio calculations show that the perfect TiS3 monolayer is a direct-gap semiconductor with a bandgap of 1.02 eV, close to that of bulk silicon, and with high carrier mobility. More remarkably, the in-plane electron mobility of the 2D TiS3 is highly anisotropic, amounting to about 10 000 cm2 V−1 s−1 in the b direction, which is higher than that of the MoS2 monolayer, whereas the hole mobility is about two orders of magnitude lower. Furthermore, TiS3 possesses lower cleavage energy than graphite, suggesting easy exfoliation for TiS3. Both dynamical and thermal stability of the TiS3 monolayer is examined by phonon-spectrum calculation and Born–Oppenheimer molecular dynamics simulation. The desired electronic properties render the TiS3 monolayer a promising 2D atomic-layer material for applications in future nanoelectronics.

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278 citations

Journal Article•DOI•

Obtaining Two-Dimensional Electron Gas in Free Space without Resorting to Electron Doping: An Electride Based Design

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Songtao Zhao¹, Zhenyu Li¹, Jinlong Yang¹•Institutions (1)

University of Science and Technology of China¹

16 Sep 2014-Journal of the American Chemical Society

TL;DR: It is found that some ambient molecules can dissociatively adsorb on the Ca2N monolayer, accompanying with a significant charge transfer from the 2DEG-FS state to adsorbates, and predicted that graphane can be used as an effective encapsulating material.

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Abstract: Nearly free electron (NFE) states are widely existed on atomically smooth surfaces in two-dimensional materials. Since they are mainly distributed in free space, these states can in principle provide ideal electron transport channels without nuclear scattering. Unfortunately, NFE states are typically unoccupied, and electron doping is required to shift them toward the Fermi level and, thus, to be involved in electron transport. Instead of occupying these NFE states, it is more desirable to have intrinsic nucleus-free two-dimensional electron gas in free space (2DEG-FS) at the Fermi level without relying on doping. Inspired by a recently identified electride material, we suggest that Ca2N monolayer should possess such a 2DEG-FS state, which is then confirmed by our first-principles calculations. Phonon dispersion in Ca2N monolayer shows no imagery frequency indicating that the monolayer structure is stable. A mechanical analysis demonstrates that Ca2N bulk exfoliation is feasible to produce a freestanding ...

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278 citations

Journal Article•DOI•

Electronic properties of mesoscopic graphene structures: Charge confinement and control of spin and charge transport

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A.V. Rozhkov¹, G. Giavaras, Yury P. Bliokh², Valentin Freilikher³, Franco Nori⁴ - Show less +1 more•Institutions (4)

Russian Academy of Sciences¹, Technion – Israel Institute of Technology², Bar-Ilan University³, University of Michigan⁴

01 Jun 2011-Physics Reports

TL;DR: In this article, a brief review discusses electronic properties of mesoscopic graphene-based structures, including edges, nanoribbons, quantum dots, pn-junctions, pnp-structures, and quantum barriers and waveguides.

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277 citations

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Journal Article•DOI•

Electric Field Effect in Atomically Thin Carbon Films

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Kostya S. Novoselov¹, Andre K. Geim¹, Sergey V. Morozov, Da Jiang¹, Y. Zhang¹, S. V. Dubonos, Irina V. Grigorieva¹, A. A. Firsov - Show less +4 more•Institutions (1)

University of Manchester¹

22 Oct 2004-Science

TL;DR: Monocrystalline graphitic films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands and they exhibit a strong ambipolar electric field effect.

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Abstract: We describe monocrystalline graphitic films, which are a few atoms thick but are nonetheless stable under ambient conditions, metallic, and of remarkably high quality. The films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands, and they exhibit a strong ambipolar electric field effect such that electrons and holes in concentrations up to 10 13 per square centimeter and with room-temperature mobilities of ∼10,000 square centimeters per volt-second can be induced by applying gate voltage.

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55,532 citations

"The electronic properties of graphe..." refers background in this paper

...Be ause the DC magnetotransport properties ofgraphene are normally measured with the possibilityof tuning its ele troni density by a gate potential(Novoselov et al., 2004), it is important to ompute the ondu tivity kernel, sin e this has dire t experimentalrelevan e....
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...The same polarizability describes the screening of an external field perpendicular to the layers, like the one induced by a gate in electrically doped systems (Novoselov et al., 2004)....
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...Because the DC magnetotransport properties of graphene are normally measured with the possibility of tuning its electronic density by a gate potential (Novoselov et al., 2004), it is important to compute the conductivity kernel, since this has direct experimental relevance....
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...…studies of graphene sta ks have showed that, within reasing number of layers, the system be omes in reas-ingly metalli ( on entration of harge arriers at zero en-ergy gradually in reases), and there appear several typesof ele tron-and-hole-like arries (Morozov et al., 2005;Novoselov et al., 2004)....
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...The same polarizabilitydes ribes the s reening of an external eld perpendi ularto the layers, like the one indu ed by a gate in ele tri- ally doped systems (Novoselov et al., 2004)....
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Journal Article•DOI•

The rise of graphene

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Andre K. Geim¹, Kostya S. Novoselov¹•Institutions (1)

University of Manchester¹

01 Mar 2007-Nature Materials

TL;DR: Owing to its unusual electronic spectrum, graphene has led to the emergence of a new paradigm of 'relativistic' condensed-matter physics, where quantum relativistic phenomena can now be mimicked and tested in table-top experiments.

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Abstract: Graphene is a rapidly rising star on the horizon of materials science and condensed-matter physics. This strictly two-dimensional material exhibits exceptionally high crystal and electronic quality, and, despite its short history, has already revealed a cornucopia of new physics and potential applications, which are briefly discussed here. Whereas one can be certain of the realness of applications only when commercial products appear, graphene no longer requires any further proof of its importance in terms of fundamental physics. Owing to its unusual electronic spectrum, graphene has led to the emergence of a new paradigm of 'relativistic' condensed-matter physics, where quantum relativistic phenomena, some of which are unobservable in high-energy physics, can now be mimicked and tested in table-top experiments. More generally, graphene represents a conceptually new class of materials that are only one atom thick, and, on this basis, offers new inroads into low-dimensional physics that has never ceased to surprise and continues to provide a fertile ground for applications.

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35,293 citations

"The electronic properties of graphe..." refers background in this paper

...As the current status of the experiment and potential applications have recently been reviewed (Geim and Novoselov, 2007), in this article we mostly concentrate on the theory and more technical aspects of electronic properties of this exciting new material....
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...As the urrent status of the experimentand potential appli ations have re ently been reviewed(Geim and Novoselov, 2007), in this arti le we mostly on entrate on the theory and more te hni al aspe ts ofele troni properties of this ex iting new material....
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...It has also been suggested that Coulomb intera tionsare onsiderably enhan ed in smaller geometries, su has graphene quantum dots (Milton Pereira Junior et al.,2007), leading to unusual Coulomb blo kade e e ts 4(Geim and Novoselov, 2007) and perhaps to magneti phenomena su h as the Kondo e e t....
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...…most versatile systems in ondensedmatter resear h.Besides the unusual basi properties, graphene hasthe potential for a large number of appli ations(Geim and Novoselov, 2007), from hemi al sensors(Chen et al., 2007 ; S hedin et al., 2007) to transistors(Nilsson et al., 2007b; Oostinga et al.,…...
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...Besides the unusual basic properties, graphene has the potential for a large number of applications (Geim and Novoselov, 2007), from chemical sensors (Chen et al....
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Book•

Theory of elasticity

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Stephen P. Timoshenko, James Norman Goodier

01 Jan 1934

TL;DR: The theory of the slipline field is used in this article to solve the problem of stable and non-stressed problems in plane strains in a plane-strain scenario.

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Abstract: Chapter 1: Stresses and Strains Chapter 2: Foundations of Plasticity Chapter 3: Elasto-Plastic Bending and Torsion Chapter 4: Plastic Analysis of Beams and Frames Chapter 5: Further Solutions of Elasto-Plastic Problems Chapter 6: Theory of the Slipline Field Chapter 7: Steady Problems in Plane Strain Chapter 8: Non-Steady Problems in Plane Strain

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20,724 citations

Journal Article•DOI•

Two-dimensional gas of massless Dirac fermions in graphene

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Kostya S. Novoselov¹, A. K. Geim¹, Sergey V. Morozov, Da Jiang¹, Mikhail I. Katsnelson², Irina V. Grigorieva¹, S. V. Dubonos, A. A. Firsov - Show less +4 more•Institutions (2)

University of Manchester¹, Radboud University Nijmegen²

10 Nov 2005-Nature

TL;DR: This study reports an experimental study of a condensed-matter system (graphene, a single atomic layer of carbon) in which electron transport is essentially governed by Dirac's (relativistic) equation and reveals a variety of unusual phenomena that are characteristic of two-dimensional Dirac fermions.

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Abstract: Quantum electrodynamics (resulting from the merger of quantum mechanics and relativity theory) has provided a clear understanding of phenomena ranging from particle physics to cosmology and from astrophysics to quantum chemistry. The ideas underlying quantum electrodynamics also influence the theory of condensed matter, but quantum relativistic effects are usually minute in the known experimental systems that can be described accurately by the non-relativistic Schrodinger equation. Here we report an experimental study of a condensed-matter system (graphene, a single atomic layer of carbon) in which electron transport is essentially governed by Dirac's (relativistic) equation. The charge carriers in graphene mimic relativistic particles with zero rest mass and have an effective 'speed of light' c* approximately 10(6) m s(-1). Our study reveals a variety of unusual phenomena that are characteristic of two-dimensional Dirac fermions. In particular we have observed the following: first, graphene's conductivity never falls below a minimum value corresponding to the quantum unit of conductance, even when concentrations of charge carriers tend to zero; second, the integer quantum Hall effect in graphene is anomalous in that it occurs at half-integer filling factors; and third, the cyclotron mass m(c) of massless carriers in graphene is described by E = m(c)c*2. This two-dimensional system is not only interesting in itself but also allows access to the subtle and rich physics of quantum electrodynamics in a bench-top experiment.

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18,958 citations

"The electronic properties of graphe..." refers background or methods in this paper

...This amazing re-sult has been observed experimentally (Novoselov et al.,2005a; Zhang et al., 2005) as shown in Fig.20....
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...Adapted from(Novoselov et al., 2005a)....
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...Adapted from (Novoselov et al.,2005a).and hen e σxy,inc. = I/VH = ±4Ne2/h, whi h is thenaive expe tation....
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...The period of os illations ∆n = 4B/Φ0,where B is the applied eld and Φ0 is the ux quantum(Novoselov et al., 2005a).or equivalently: (Oσ+ + O†σ−)φ = (2E/ωc)φ , (100)where σ± = σx ± iσy, and we have de ned the dimen-sionless length s ale: ξ = y ℓB − ℓBk , (101)and 1D harmoni os illator operators: O =…...
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...…invery unusual ways when ompared to ordinary ele tronsif subje ted to magneti elds, leading to new physi alphenomena (Gusynin and Sharapov, 2005; Peres et al.,2006 ) su h as the anomalous integer quantum Hall ef-fe t (IQHE) measured experimentally (Novoselov et al.,2005a; Zhang et al., 2005)....
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