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Graphene nanoribbons are the counterpart of carbon nanotubes in graphene-based nanoelectronics. We investigate the electronic properties of chemically modified ribbons by means of density functional theory. We observe that chemical…

Materials Science · Physics 2009-09-29 F. Cervantes-Sodi , G. Csányi , S. Piscanec , A. C. Ferrari

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…

Materials Science · Physics 2015-05-19 Bhagawan Sahu , Hongki Min , Sanjay K. Banerjee

The thermoelectric properties of MoS2 armchair nanoribbons with different width are studied by using first-principles calculations and Boltzmann transport theory, where the relaxation time is predicted from deformation potential theory. Due…

Mesoscale and Nanoscale Physics · Physics 2015-02-24 D. D. Fan , H. J. Liu , L. Cheng , P. H. Jiang , J. Shi , X. F. Tang

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

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

We present our study on atomic, electronic, magnetic and phonon properties of one dimensional honeycomb structure of molybdenum disulfide (MoS$_2$) using first-principles plane wave method. Calculated phonon frequencies of bare armchair…

Materials Science · Physics 2011-05-24 C. Ataca , H. Şahin , E. Aktürk , S. Ciraci

Ab initio density functional theory calculations are carried out to predict the electronic properties and relative stability of gallium sulfide nanoribbons (Ga2S2-NRs) with either zigzag- or armchair-terminated edges. It is found that the…

Mesoscale and Nanoscale Physics · Physics 2016-10-12 Bao-Ji Wang , Xiao-Hua Li , Li-Wei Zhang , Guo-Dong Wang , San-Huang Ke

We investigate the effects of external electric fields on the electronic properties of bilayer armchair graphene nano-ribbons. Using atomistic simulations with Tight Binding calculations and the Non-equilibrium Green function formalism, we…

Mesoscale and Nanoscale Physics · Physics 2017-02-01 Thanh-Tra Vu , Thi-Kim-Quyen Nguyen , Anh-Huy Huynh , Thi-Kim-Loan Phan , Van-Truong Tran

The influence of an external electric field on single-layer transition-metal dichalcogenides TX2 with T = Mo, W and X = S, Se (MoWSeS) have been investigated by means of density-functional theory within two-dimensional periodic boundary…

Materials Science · Physics 2017-09-13 Nourdine Zibouche , Pier Philipsen , Thomas Heine , Agnieszka Kuc

We study the effect of vertical electric-field (E-field) on the electronic properties of the multilayer armchair graphene nanoribbon (aGNR). Under E-field, the band structure of a bilayer aGNR undergoes interesting transformations such as…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 S. Bala kumar , Jing Guo

Motivated by the recent synthesis of single layer TiSe2 , we used state-of-the-art density functional theory calculations, to investigate the structural and electronic properties of zigzag and armchair- edged nanoribbons of this material.…

Mesoscale and Nanoscale Physics · Physics 2015-09-14 H. D. Ozaydin , H. Sahin , J. Kang , F. M. Peeters , R. T. Senger

Systematic ab initio calculations show that the energy gap of boron nitride (BN) nanoribbons (BNNRs) with zigzag or armchair edges can be significantly reduced by a transverse electric field and completely closed at a critical field which…

Materials Science · Physics 2011-01-18 Zhuhua Zhang , Wanlin Guo

Using a first principles density functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the…

Materials Science · Physics 2009-11-13 Bhagawan Sahu , Hongki Min , Allan. H. MacDonald , Sanjay K. Banerjee

We study the effects of a vertical electric field on the electronic band structure and transport in multilayer phosphorene and its nanoribbons. In phosphorene, at a critical value of the vertical electric field ($E_c$), the band gap closes…

Mesoscale and Nanoscale Physics · Physics 2017-10-24 S. Soleimanikahnoj , I. Knezevic

Due to the weak spin-orbit interaction and the peculiar relativistic dispersion in graphene, there are exciting proposals to build spin qubits in graphene nanoribbons with armchair boundaries. However, the mutual interactions between…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Hsiu-Hau Lin , Toshiya Hikihara , Horng-Tay Jeng , Bor-Luen Huang , Chung-Yu Mou , Xiao Hu

Motivated by the recent successful formation of the MoSi2N4 monolayer [Hong et al., Sci. 369, 670 (2020)], the structural, electronic and magnetic properties of MoSi2N4 nanoribbons (NRs) is investigated for the first time . The band…

We argue that twisted graphene nanoribbons subjected to a transverse electric field can operate as a variety of nanoelectronic devices, such as tunable tunnel diodes with current-voltage characteristics controlled by the transverse field.…

Mesoscale and Nanoscale Physics · Physics 2018-12-14 Marta Saiz-Bretín , Andrey V. Malyshev , Francisco Domínguez-Adame

We study field effect transistor characteristics in etched single layer MoS2 nanoribbon devices of width 50nm with ohmic contacts. We employ a SF6 dry plasma process to etch MoS2 nanoribbons using low etching (RF) power allowing very good…

Mesoscale and Nanoscale Physics · Physics 2019-04-02 D. Kotekar-Patil , J. Deng , S. L. Wong , Chit Siong Lau , Kuan Eng Johnson Goh

Molybdenum disulfide (MoS$_2$) is a promising candidate for 2D nanoelectronic devices, that shows a direct band-gap for monolayer structure. In this work we study the electronic structure of MoS$_2$ upon both compressive and tensile strains…

Materials Science · Physics 2016-05-03 Miquel López-Suárez , Igor Neri , Riccardo Rurali

The electronic transport properties of Janus monolayer black arsenic phosphorus (b-AsP) nanoribbons have been investigated utilizing the tight-binding approach. The dependence of electronic structure on edge structures is systematically…

Mesoscale and Nanoscale Physics · Physics 2022-12-06 Zhongqi Ren , Chen Li , Xinnuo Huang , Xuefei Yan , Weiqi Li
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