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In this work, the electronic properties of phosphorene nanoribbons with different width and edge configurations are studied by using density functional theory. It is found that the armchair phosphorene nanoribbons are semiconducting while…

Mesoscale and Nanoscale Physics · Physics 2015-02-24 J. Zhang , H. J. Liu , L. Cheng , J. Wei , J. H. Liang , D. D. Fan , J. Shi , X. F. Tang , Q. J. Zhang

Ab initio density functional theory (DFT) simulations were used to investigate an influence of electric field, parallel to single and multilayer graphene on its electron dispersion relations close to K point. It was shown that for both…

Materials Science · Physics 2016-11-09 Stanisław Krukowski , Jakub Sołtys , Jolanta Borysiuk , Jacek Piechota

We study the effect of transversal electric-field (E-field) on the electronic properties of multilayer armchair-graphene-nanoribbon (AGNR). The bandgap in multilayer-AGNRs can be reversibly modulated with the application of E-field. At…

Mesoscale and Nanoscale Physics · Physics 2011-07-29 S. Bala kumar , Jing Guoa

{\it Ab initio} density functional theory calculations are performed to investigate the electronic structure of MoS$_2$ armchair nanoribbons in the presence of an external static electric field. Such nanoribbons, which are nonmagnetic and…

Mesoscale and Nanoscale Physics · Physics 2013-08-29 Kapildeb Dolui , Chaitanya Das Pemmaraju , Stefano Sanvito

This paper presents electronic spectra of zigzag and armchair graphene nanoribbons calculated within the tight-binding model for pi-electrons. Zigzag and armchair nanoribbons of different edge geometries are considered, with surface…

Mesoscale and Nanoscale Physics · Physics 2009-02-06 Jaroslaw Klos

Extended defects in graphene, such as linear edges, break the translational invariance and can also have an impact on the symmetries specific to massless Dirac-like quasiparticles in this material. The paper examines the consequences of a…

Mesoscale and Nanoscale Physics · Physics 2009-05-25 Grigory Tkachov , Martina Hentschel

Electronic properties of the graphene layer sandwiched between two hexagonal boron nitride sheets have been studied using the first-principles calculations and the minimal tight-binding model. It is shown that for the ABC-stacked structure…

Materials Science · Physics 2010-11-10 J. Slawinska , I. Zasada , P. Kosinski , Z. Klusek

We studied the electronic structure and optic absorption of phosphorene (monolayer of black phosphorus) under strain. Strain was found to be a powerful tool for the band structure engineering. The in-plane strain in armchair or zigzag…

Mesoscale and Nanoscale Physics · Physics 2016-04-20 Houjian Duan , Mou Yang , Ruiqiang Wang

Within the tight binding approximation, we study the dependence of the electronic band structure and of the optical conductivity of a graphene single layer on the modulus and direction of applied uniaxial strain. While the Dirac cone…

Mesoscale and Nanoscale Physics · Physics 2010-01-15 F. M. D. Pellegrino , G. G. N. Angilella , R. Pucci

The calculated electron mobility for a graphene nanoribbon as a function of applied electric field has been found to have a large threshold field for entering a nonlinear transport regime. This field depends on the lattice temperature,…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Danhong Huang , Godfrey Gumbs , O. Roslyak

A uniaxial strain applied to graphene-like materials moves the Dirac nodes along the boundary of the Brillouin zone. An extreme case is the merging of the Dirac node positions to a single degenerate spectral node which gives rise to a new…

Mesoscale and Nanoscale Physics · Physics 2018-06-11 Phusit Nualpijit , Andreas Sinner , Klaus Ziegler

Using the tight binding and Pariser-Parr-Pople (PPP) model Hamiltonians, we study the electronic structure and optical response of multilayer armchair graphene nanoribbons (AGNRs), both with and without a gate bias. In particular, the…

Materials Science · Physics 2015-03-19 Kondayya Gundra , Alok Shukla

Matrix elements of electron-light interactions for armchair and zigzag graphene nanoribbons are constructed analytically using a tight-binding model. The changes in wavenumber ($\Delta n$) and pseudospin are the necessary elements if we are…

Materials Science · Physics 2011-09-05 K. Sasaki , K. Kato , Y. Tokura , K. Oguri , T. Sogawa

We report on a theoretical study of the effects of time-dependent fields on electronic transport through graphene nanoribbon devices. The Fabry-P\'{e}rot interference pattern is modified by an ac gating in a way that depends strongly on the…

Mesoscale and Nanoscale Physics · Physics 2011-06-10 Claudia G. Rocha , Luis E. F. Foa Torres , Gianaurelio Cuniberti

Graphene nanoribbons are widely regarded as promising building blocks for next-generation carbon-based devices. A critical issue to their prospective applications is whether and to what degree their electronic structure can be externally…

Materials Science · Physics 2021-11-11 Michele Pizzochero , Nikita V. Tepliakov , Arash A. Mostofi , Efthimios Kaxiras

We study the electronic structure and transport properties of zigzag and armchair monolayer molybdenum disulfide nanoribbons using an 11-band tight-binding model that accurately reproduces the material's bulk band structure near the band…

Mesoscale and Nanoscale Physics · Physics 2017-02-02 Emilia Ridolfi , Leandro R. F. Lima , Eduardo R. Mucciolo , Caio H. Lewenkopf

Emergent Dirac fermion states underlie many intriguing properties of graphene, and the search for them constitute one strong motivation to explore two-dimensional (2D) allotropes of other elements. Phosphorene, the ultrathin layers of black…

Graphene nanoribbons (GNR) in mutually perpendicular electric and magnetic fields are shown to exhibit dramatic changes in their band structure and electron transport properties. A strong electric field across the ribbon induces multiple…

Materials Science · Physics 2015-05-18 Oleksiy Roslyak , Godfrey Gumbs , Danhong Huang

We perform a comprehensive first-principles study of the electronic properties of phosphorene nanoribbons, phosphorene nanotubes, multilayer phosphorene, and heterobilayers of phosphorene and two-dimensional (2D) transition metal…

Mesoscale and Nanoscale Physics · Physics 2014-06-18 Hongyan Guo , Ning Lu , Jun Dai , Xiaojun Wu , Xiao Cheng Zeng

The Dirac equation is solved for triangular and hexagonal graphene quantum dots for different boundary conditions in the presence of a perpendicular magnetic field. We analyze the influence of the dot size and its geometry on their energy…

Mesoscale and Nanoscale Physics · Physics 2015-06-03 M. Zarenia , A. Chaves , G. A. Farias , F. M. Peeters