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We present a review of the electronic compressibility of monolayer and bilayer graphene. We focus on describing theoretical calculations of the effects of electron--electron interactions and various types of disorder, and also give a…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 D. S. L. Abergel

The electronic structure of the zig-zag bilayer strip is analyzed. The electronic spectra of the bilayer strip is computed. The dependence of the edge state band flatness on the bilayer width is found. The density of states at the Fermi…

Materials Science · Physics 2015-06-04 M. Pudlak , R. Pincak

Relativistic quantum theory of induced scattering of 2D Dirac particles by electrostatic field of impurity ion (in the Born approximation) in the doped graphene at the presence of an external electromagnetic radiation field (actually…

Optics · Physics 2017-11-22 A. K. Avetissian , A. G. Ghazaryan , Kh. V. Sedrakian , B. R. Avchyan

The experimental line shape broadening observed in adsorbate diffusion on metal surfaces with increasing coverage is usually related to the nature of the adsorbate-adsorbate interaction. Here we show that this broadening can also be…

Statistical Mechanics · Physics 2007-06-13 R. Martinez-Casado , J. L. Vega , A. S. Sanz , S. Miret-Artes

Li and Na attachment to free tetracyanoethylene (TCNE) molecules and TCNE adsorbed on doped graphene is studied using density functional theory. While TCNE is adsorbed only weakly on ideal graphene, we identified a configuration in which…

Materials Science · Physics 2016-02-05 Yingqian Chen , Sergei Manzhos

The adsorption of an alkali-metal submonolayer on graphene occupying every third hexagon of the honeycomb lattice in a commensurate $(\sqrt{3}\times\sqrt{3})R30^\circ$ arrangement induces an energy gap in the spectrum of graphene. To…

Materials Science · Physics 2009-01-27 M. Farjam , H. Rafii-Tabar

The analysis of the electronic properties of strained or lattice deformed graphene combines ideas from classical condensed matter physics, soft matter, and geometrical aspects of quantum field theory (QFT) in curved spaces. Recent…

We study the interplay between the edge states and a single impurity in a zigzag graphene nanoribbon. We use tight-binding exact diagonalization techniques, as well as density functional theory calculations to obtain the eigenvalue…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 L. Bilteanu , C. Dutreix , A. Jagannathan , C. Bena

With a view towards optimizing gas storage and separation in crystalline and disordered nanoporous carbon-based materials, we use ab initio density functional theory calculations to explore the effect of chemical functionalization on gas…

The electronic and optical properties of graphene nanoribbons under uniaxial periodic strain have been explored using various nearest-neighbor hopping patterns. It is found that by properly selecting hopping patterns, momentum-resolved gaps…

Mesoscale and Nanoscale Physics · Physics 2024-11-05 Chunwen Zhang , W. X. Yan

Electromagnetic response of a finite-width two-dimensional electron stripe with attached metallic side contacts is theoretically studied. It is shown that contacts substantially influence the position, the linewidth, and the amplitude of…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 S. A. Mikhailov , N. A. Savostianova

We present a novel comprehensive first-principles theoretical study of the electronic properties and relative stabilities of edge-oxidized zigzag graphene nanoribbons. The oxidation schemes considered include hydroxyl, carboxyl, ether, and…

Materials Science · Physics 2015-05-13 Oded Hod , Veronica Barone , Juan E. Peralta , Gustavo E. Scuseria

Saturable absorption is a non-perturbative nonlinear optical phenomenon that plays a pivotal role in the generation of ultrafast light pulses. Here we show that this effect emerges in graphene at unprecedentedly low light intensities, thus…

Mesoscale and Nanoscale Physics · Physics 2017-03-15 A. Marini , J. D. Cox , F. J. Garcia de Abajo

In this paper, we evaluate of the adsorption/ desorption of ammonia molecules on a graphene surface by studying the Fermi level shift. Based on a physically plausible model, the adsorption and desorption rates of ammonia molecules on…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 Shanshan Chen , Weiwei Cai , David Chen , Yujie Ren , Xuesong Li , Yanwu Zhu , Rodney S. Ruoff

In recent years there has been significant debate on whether the edge type of graphene nanoflakes (GNF) or graphene quantum dots (GQD) are relevant for their electronic structure, thermal stability and optical properties. Using computer…

Mesoscale and Nanoscale Physics · Physics 2016-06-15 Candela Mansilla Wettstein , Franco P. Bonafé , M. Belén Oviedo , Cristián G. Sánchez

Absorption of terahertz waves by a metasurface comprising a biperiodic array of pixellated meta-atoms on top of a dielectric substrate backed by a perfect electric conductor was simulated using a commercial software, with either all or a…

Optics · Physics 2019-11-12 Pankaj Kumar , Akhlesh Lakhtakia , Pradip K. Jain

Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of silicon - silicene - with B, N, Al or P atoms. The structural, electronic,…

Materials Science · Physics 2014-09-05 Jozef Sivek , Hasan Şahin , Bart Partoens , François M. Peeters

We investigated the reduction of the spin stiffness and the appearance of the spiral spin density waves when the electric field is applied on the zigzag graphene nanoribbons for the ferromagnetic and antiferromagnetic edge states. For that…

Mesoscale and Nanoscale Physics · Physics 2019-12-24 Teguh Budi Prayitno , Esmar Budi

We have performed first-principles calculations of graphene edge stresses, which display two interesting quantum manifestations absent from the classical interpretation: the armchair edge stress oscillates with a nanoribbon width, and the…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Bing Huang , Miao Liu , Ninghai Su , Jian Wu , Wenhui Duan , Bing-lin Gu , Feng Liu

Distribution of charge induced by a gate voltage in a graphene strip is investigated. We calculate analytically the charge profile and demonstrate a strong(macroscopic) charge accumulation along the boundaries of a micrometers-wide strip.…

Mesoscale and Nanoscale Physics · Physics 2008-06-04 P. G. Silvestrov , K. B. Efetov
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