Electrically controlled spin reversal and spin polarization of electronic transport in nanoporous graphene nanoribbons

2021 ◽  
Author(s):  
Ruisong Shen ◽  
Yandong Guo ◽  
Xiaohong Yan ◽  
Hong-Li Zeng ◽  
Miaoshen Liang ◽  
...  
Keyword(s):  
Spin Polarization ◽  
Electronic Transport ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
First Principles Calculations ◽  
Terminal Device ◽  
Spin Reversal ◽  
Nanoporous Graphene

Based on first-principles calculations, the spin-dependent electronic transport of nanoporous graphene nanoribbons is investigated. A three-terminal device is proposed, which can electronically control the spin polarization of transmission, instead of...

SPIN-POLARIZATION-DEPENDENT TRANSPORT IN GRAPHENE NANORIBBON WITH A VACANCY

2011 ◽  
Vol 10 (03) ◽  
pp. 533-538 ◽  
Author(s):  
CHUN-MEI LIU ◽  
NIAN-HUA LIU ◽  
ZHENG-FANG LIU ◽  
LI-PING AN
Keyword(s):  
Spin Polarization ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
Graphene Nanoribbons ◽  
Electronic Band ◽  
Functional Theory ◽  
Electronic Band Gap ◽  
The Stability ◽  
Dependent Transport

By using the first-principles density functional theory combining with the nonequilibrium Green’s function techniques, we investigate the electronic structure and the spin-polarization-dependent electronic transport of zigzag graphene nanoribbons (ZGNR) with a defect of vacancy. The total energy of the graphene ribbons corresponding to different vacancy locations is calculated to analyze the stability of the structures. It is found that the existence of a vacancy causes a significant change in the electronic band gap. The electronic band and the transport become spin-polarization-dependent. The calculated I–V characteristic shows that the spin-polarization-dependent effect can be enhanced under a finite bias voltage.

scholarly journals Spin Polarization Properties of Pentagonal PdSe2 Induced by 3D Transition-Metal Doping: First-Principles Calculations

Materials ◽  
2018 ◽  
Vol 11 (11) ◽  
pp. 2339 ◽  
Author(s):  
Xiuwen Zhao ◽  
Bin Qiu ◽  
Guichao Hu ◽  
Weiwei Yue ◽  
Junfeng Ren ◽  
...  
Keyword(s):  
Transition Metal ◽  
Spin Polarization ◽  
First Principles ◽  
Magnetic Moments ◽  
First Principles Calculations ◽  
Density Distributions ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Theoretical Investigations ◽  
Densities Of States

The electronic structure and spin polarization properties of pentagonal structure PdSe2 doped with transition metal atoms are studied through first- principles calculations. The theoretical investigations show that the band gap of the PdSe2 monolayer decreases after introducing Cr, Mn, Fe and Co dopants. The projected densities of states show that p-d orbital couplings between the transition metal atoms and PdSe2 generate new spin nondegenerate states near the Fermi level which make the system spin polarized. The calculated magnetic moments, spin density distributions and charge transfer of the systems suggest that the spin polarization in Cr-doped PdSe2 will be the biggest. Our work shows that the properties of PdSe2 can be modified by doping transition metal atoms, which provides opportunity for the applications of PdSe2 in electronics and spintronics.

First-principles study of electronic transport properties of graphene nanoribbons with pentagon-heptagon (5-7) line defects

2015 ◽  
Vol 1727 ◽  
Author(s):  
Yasutaka Nishida ◽  
Takashi Yoshida ◽  
Fumihiko Aiga ◽  
Yuichi Yamazaki ◽  
Hisao Miyazaki ◽  
...  
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
Graphene Nanoribbons ◽  
Edge State ◽  
Line Defect ◽  
Electronic Transport Properties ◽  
Current Voltage ◽  
Line Defects

ABSTRACTIn this study, we investigated the influence of line defects consisting of pentagon-heptagon (5-7) pairs on the electronic transport properties of zigzag-edged and armchair-edged graphene nanoribbons (GNRs). Using the first-principles density functional theory, we study their electronic properties. To investigate their current-voltage (I-V) characteristics at low bias voltage (∼ 1 meV), we use the nonequilibrium Green’s function method. As a result, we found that the conductance of the GNRs having a connected line defect between source and drain shows better performance than that of the ideal zigzag-edged GNRs (ZGNRs). A detailed investigation of the transmission spectra and the wave function around the Fermi level reveals that the line defects arranged along the transport direction work similar to an edge state of the ZGNRs and can be an additional conduction channel. Our results suggest that such a line defect can be effective for low-resistance GNR interconnects.

Spin polarization properties of benzene/graphene with transition metals as dopants: First principles calculations

2018 ◽  
Vol 439 ◽  
pp. 1158-1162 ◽  
Author(s):  
X.B. Yuan ◽  
Y.L. Tian ◽  
X.W. Zhao ◽  
W.W. Yue ◽  
G.C. Hu ◽  
...  
Keyword(s):  
Transition Metals ◽  
Spin Polarization ◽  
First Principles ◽  
First Principles Calculations

scholarly journals Rectifying Performance of Heterojunction Based on α-Borophene Nanoribbons with Edge Passivation

2020 ◽  
Vol 15 (1) ◽  
Author(s):  
Guoliang Yu ◽  
Wence Ding ◽  
Xianbo Xiao ◽  
Xiaobo Li ◽  
Guanghui Zhou
Keyword(s):  
Electronic Transport ◽  
First Principles ◽  
First Principles Calculations ◽  
Zigzag Edge ◽  
Hydrogen Atoms ◽  
Rectification Effect ◽  
Structural Details ◽  
Potential Applications ◽  
Matching Degree ◽  
The Right

Abstract We propose a planar model heterojunction based on α-borophene nanoribbons and study its electronic transport properties. We respectively consider three types of heterojunctions. Each type consists of two zigzag-edge α-borophene nanoribbons (Z αBNR), one is metallic with unpassivated or passivated edges by a hydrogen atom (1H-Z αBNR) and the other is semiconducting with the edge passivated by two hydrogen atoms (2H-Z αBNR) or a single nitrogen atom (N-Z αBNR). Using the first-principles calculations combined with the nonequilibrium Green’s function, we observe that the rectifying performance depends strongly on the atomic structural details of a junction. Specifically, the rectification ratio of the junction is almost unchanged when its left metallic ribbon changes from ZBNR to 1H-Z αBNR. However, its ratio increases from 120 to 240 when the right semiconducting one varies from 2H-Z αBNR to N-Z αBNR. This rectification effect can be explained microscopically by the matching degree the electronic bands between two parts of a junction. Our findings imply that the borophene-based heterojunctions may have potential applications in rectification nano-devices.

scholarly journals Strain and screening effects on field emission properties of armchair graphene nanoribbon arrays: a first-principles study

RSC Advances ◽  
2018 ◽  
Vol 8 (40) ◽  
pp. 22625-22634 ◽  
Author(s):  
Han Hu ◽  
Siow Mean Loh ◽  
Tsan-Chuen Leung ◽  
Ming-Chieh Lin
Keyword(s):  
Field Emission ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
Local Density ◽  
First Principles Calculations ◽  
Emission Properties ◽  
Field Emission Properties ◽  
Armchair Graphene Nanoribbons ◽  
Armchair Graphene Nanoribbon ◽  
Armchair Graphene

The field screening effect on the field-emission properties of armchair graphene nanoribbons (AGNRs) under strain has been studied using first-principles calculations with local density approximation (LDA).

The electronic transport properties of zigzag silicene nanoribbon slices with edge hydrogenation and oxidation

2016 ◽  
Vol 18 (16) ◽  
pp. 11513-11519 ◽  
Author(s):  
Dongqing Zou ◽  
Wenkai Zhao ◽  
Changfeng Fang ◽  
Bin Cui ◽  
Desheng Liu
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic Transport Properties

First principles calculations were carried out to investigate the electronic transport properties of H or H2 edge-hydrogenated zigzag silicene nanoribbon (ZSiNR) slices, as well as OH or O edge-oxidized ZSiNR slices connected with H-terminated ZSiNR electrodes.

scholarly journals CO2 adsorption on Fe-doped graphene nanoribbons: First principles electronic transport calculations

AIP Advances ◽  
2016 ◽  
Vol 6 (12) ◽  
pp. 125102 ◽  
Author(s):  
G. R. Berdiyorov ◽  
H. Abdullah ◽  
M. Al Ezzi ◽  
G. V. Rakhmatullaeva ◽  
H. Bahlouli ◽  
...  
Keyword(s):  
Electronic Transport ◽  
First Principles ◽  
Co2 Adsorption ◽  
Graphene Nanoribbons ◽  
Doped Graphene

scholarly journals Geometric, magnetic and electronic properties of folded graphene nanoribbons

RSC Advances ◽  
2016 ◽  
Vol 6 (69) ◽  
pp. 64852-64860 ◽  
Author(s):  
Shen-Lin Chang ◽  
Bi-Ru Wu ◽  
Po-Hua Yang ◽  
Ming-Fa Lin
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Graphene Nanoribbons ◽  
First Principles Calculations

Geometric, magnetic and electronic properties of folded graphene nanoribbons (GNRs) are investigated by first-principles calculations.

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