Current-voltage<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mi>I</mml:mi><mml:mtext>−</mml:mtext><mml:mi>V</mml:mi></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>characteristics of armchair graphene nanoribbons under uniaxial strain

Topsakal, Mehmet; Bagci, V. M. K.; Çiraci, S.

doi:10.1103/physrevb.81.205437

Cited by 158 publications

(84 citation statements)

References 33 publications

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“…The electronic transport properties are studied by the non-equilibrium Green's function (NEGF) techniques within the Keldysh formalism as implemented in the TRANSIESTA package. 20,21 The electric current through the contact region is calculated using the Landauer-Buttiker formula 22 = 0 ( , ) To model the phosphorene layer, we used a 3 × 3 surpercell as shown in Fig. 1, which has lattice dimensions of 9.898 Å × 13.854 Å corresponding to the unit cell of 3.3 Å × 4.618 Å, which is in good agreement with previous reports.…”

Section: Methodssupporting

confidence: 65%

Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I–V Response

Kou

Frauenheim

Chen

2014

J. Phys. Chem. Lett.

931

620

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Recent reports on the fabrication of phosphorene, i.e., mono-or few-layer black phosphorus, have raised exciting prospects of an outstanding two-dimensional (2D) material that exhibits excellent properties for nanodevice applications. Here we study by first-principles calculations the adsorption of CO, CO 2 , NH 3 , NO and NO 2 gas molecules on a mono-layer phosphorene. Our results predict superior sensing performance of phosphorene that rivals or even surpasses other 2D materials such as graphene and MoS 2 . We determine the optimal adsorption positions of these molecules on the phosphorene and identify molecular doping, i.e., charge transfer between the molecules and phosphorene, as the driving mechanism for the high adsorption strength. We further calculated the current-voltage (I-V) relation using a non-equilibrium Green's function (NEGF) formalism. The transport features show large (one to two orders of magnitude) anisotropy along different (armchair or zigzag) directions, which is consistent with the anisotropic electronic band structure of phosphorene. Remarkably, the I-V relation exhibits distinct responses with a marked change of the I-V relation along either the armchair or the zigzag directions depending on the type of molecules. Such selectivity and sensitivity to adsorption makes phosphorene a superior gas sensor that promises wide-ranging applications.

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Section: Methodssupporting

confidence: 65%

Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I–V Response

Kou

Frauenheim

Chen

2014

J. Phys. Chem. Lett.

931

620

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“…2 This spin-like valley degree of freedom of graphene has opened up a new avenue in nanoelectronic applications, which is the so-called valleytronics. 4 As a matter of course, the ability to generate valley-polarized current becomes an essential requirement in realizing the valleytronic applications. One way to break the valley symmetry in graphene is by applying a strain to it.…”

Section: Introductionmentioning

confidence: 99%

Perfect valley filter in strained graphene with single barrier region

et al. 2016

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We present a single barrier system to generate pure valley-polarized current in monolayer graphene. A uniaxial strain is applied within the barrier region, which is delineated by localized magnetic field created by ferromagnetic stripes at the region's boundaries. We show that under the condition of matching magnetic field strength, strain potential, and Fermi energy, the transmitted current is composed of only one valley contribution. The desired valley current can transmit with zero reflection while the electrons from the other valley are totally reflected. Thus, the system generates pure valleypolarized current with maximum conductance. The chosen parameters of uniaxial strain and magnetic field are in the range of experimental feasibility, which suggests that the proposed scheme can be realized with current technology.

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“…We suspect that most of the works with calculations on the current-voltage characteristics of HANGRs 43,44,92,97 are based on systems A1 (strained electrodes). Only references 43, 92 and 97 study a system of 8 atoms in width, while no literature was found for HAGNR of 11 atoms in width (although it belongs to the same series of 8 atoms and 5 atoms in width, also studied in reference 44).…”

Section: Discussionmentioning

confidence: 99%

“…Particularly, strain studies on graphene nanoribbons are gaining much attention as the control of their mechanical deformation could allow the creation of novel devices for energy harvesting [83][84][85][86] . There exist many reports on the electronic structure modification via strain engineering of simulated systems of different edge type, edge decoration, shape, and width [46][47][48][49][50][87][88][89][90][91][92][93][94][95][96] . Among those researchers, some outstand by including analyses of the current-voltage characteristics 43,44,92,97,98 .…”

mentioning

confidence: 99%

I-V characteristics of in-plane and out-of-plane strained edge-hydrogenated armchair graphene nanoribbons

Cartamil-Bueno

Rodríguez‐Bolívar

2015

Journal of Applied Physics

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The effects of tensile strain on the current-voltage (I-V) characteristics of hydrogenated-edge armchair graphene nanoribbons (HAGNRs) are investigated by using DFT theory. The strain is introduced in two different ways related to the two types of systems studied in this work: in-plane strained systems (A), and out-of-plane strained systems due to bending (B). These two kinds of strain lead to make a distinction among three cases: in-plane strained systems with strained electrodes (A1) and with unstrained electrodes (A2), and out-of-plane homogeneously strained systems with unstrained, fixed electrodes (B). The systematic simulations to calculate the electronic transmission between two electrodes were focused on systems of 8 and 11 dimers in width. The results show that the differences between cases A2 and B are negligible, even though the strain mechanisms are different: in the plane case, the strain is uniaxial along its length, while in the bent case the strain is caused by the arc deformation. Based on the study, a new type of NEMS-solid state switching device is proposed.

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Current-voltage(I−V)characteristics of armchair graphene nanoribbons under uniaxial strain

Cited by 158 publications

References 33 publications

Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I–V Response

Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I–V Response

Perfect valley filter in strained graphene with single barrier region

I-V characteristics of in-plane and out-of-plane strained edge-hydrogenated armchair graphene nanoribbons

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