Even-odd-dependent optical transitions of zigzag monolayer black phosphorus nanoribbons

Liu, Pu; Zhu, Xianzhe; Zhou, Xiaoying; Zhou, Guanghui; Chang, Kai

doi:10.1007/s11433-020-1599-2

Cited by 8 publications

(14 citation statements)

References 58 publications

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“…In addition, we mention that the description of the TB model has been effectively used for PNRs with different edge geometries [5,6,20,25,27,28]. We have verified the validity of TB approach by the first-principles calculation using the Atomistix Toolkit code [46].…”

Section: Model Description and Methodsmentioning

confidence: 69%

“…3 we present the result of the edge band response to a vertical electric field with strengths ε z =0.1 and 0.4 V/Å for the two exemplary ribbons, respectively. For the consideration of the even-odd parity [20,28], we consider the two width cases of N=35, 36 and N=49, 50 for (1,3)PNR and (2,4)PNR, respectively. The LDOS left/right insert corresponding to the energies marked by the red/blue point.…”

Section: B Edge Bands Under Off-plane Electric Fieldmentioning

confidence: 99%

“…When edge hydrogen(H)-passivation is considered in the TB calculation, usually an extra potential field is applied on the edge atoms of the ribbons. This may lead to that the original edge bands are disappeared or modified (see, e.g., [20]). Here we have also tested the H-and O-passivation cases by using a DFT calculation, respectively.…”

Section: (13)pnr Homogenous Junctionmentioning

confidence: 99%

“…In the aspect of application, the field-effect transistor (FET) [7,[11][12][13] based on phosphorene is found to have an on/off ratio up to 10 3 and a * Electronic address: ghzhou@hunnu.edu.cn high hole carrier mobility to 800 cm 2 /Vs [14]. Further, arising from the low symmetric and highly anisotropic structure, phosphorene owns strongly anisotropic electrical, thermal and optical properties, which may open up possibilities for conceptually new devices [9,[16][17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

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Edge and sublayer degrees of freedom for phosphorene nanoribbons with twofold-degenerate edge bands via electric field

Ren,

Zhou,

Zhou

2021

Preprint

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For the pristine phosphorene nanoribbons (PNRs) with edge states, there exist two categories of edge bands near the Fermi energy (E F ), i.e., the shuttle-shaped twofold-degenerate and the near-flat simple degenerate edge bands. However, the usual experimental measurement may not distinguish the difference between the two categories of edge bands. Here we study the varying rule for the edge bands of PNRs under an external electrostatic field. By using the KWANT code based on the tight-binding approach, we find that the twofolddegenerate edge bands can be divided into two separated shuttles until the degeneracy is completely removed and a gap near E F is opened under a sufficiently strong in-plane electric field. Importantly, each shuttle from the ribbon upper or lower edge outmost atoms is identified according to the local density of states. However, under a small off-plane field the shuttle-shaped bands are easily induced into two near-flat bands contributed from the edge atoms of the top and bottom sublayers, respectively. The evidence provides the edge and sublayer degrees of freedom (DOF) for the PNRs with shuttle-shaped edge bands, of which is obviously different from another category PNRs intrinsically with near-flat edge bands. This is because that the former category of ribbons solely have four zigzag-like atomic configurations at the edges in each unit cell, which also results in that the property is robust against the point defect in the ribbon center area. As an application, furthermore, based on this issue we propose a homogenous junction of a shuttle-edge-band PNR attached by two electric gates. Interestingly, the transport property of the junction with field manipulation well reflects the characteristics of the two DOFs. These findings may provide a further understanding on PNRs and initiate new developments in PNR-based electronics.

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Section: Model Description and Methodsmentioning

confidence: 69%

Section: B Edge Bands Under Off-plane Electric Fieldmentioning

confidence: 99%

Section: (13)pnr Homogenous Junctionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Edge and sublayer degrees of freedom for phosphorene nanoribbons with twofold-degenerate edge bands via electric field

Ren,

Zhou,

Zhou

2021

Preprint

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“…Although the electronic structure and the possible applications of the C 3 N have been discussed explicitly above, however, the transport properties of the C 3 N are still lacking so far. In general, nanoribbons made from two-dimensional materials such as graphene, h-BN, TMDs, BP, silicene, and SiC sheet − have attracted great attention for their potential as emerging electronic materials. The 2D-material-based junctions could be designed to perform the spin filter effects and the giant magnetoresistance (GMR) effects. , Therefore, a comprehensive study of spin transport properties for this novel 2D C–N material is very essential.…”

Section: Introductionmentioning

confidence: 99%

Design of a Giant Magnetoresistance Device with High Spin Filter Efficiency

Gao

Liu

et al. 2021

J. Phys. Chem. C

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Molecular spintronics may boost the development of nanoscale devices with improved performance and enhanced functionality, which is very promising for the next generation of electronic devices. Here, we design a new type of spintronics device based on the novel 2D material C3N. Using nonequilibrium Green’s function in combination with the density functional theory, we systematically study the spin-dependent transport properties in four different magnetic configurations of the C3N junction, and the perfect spin filter efficiency and giant magnetoresistance effects are achieved. The calculated results clearly demonstrate that the transport properties of the C3N junction are sensitive to the magnetic configuration of the electrodes. The calculated spin-resolved transmission spectra of the proposed ferromagnetic coupling C3N junctions exhibit a robust spin filtering effect, where the conductance is mainly governed by the spin-down electrons. Under the small bias voltage, the transport properties are mainly determined by the spin-down channel and exhibit a large spin polarization. The conductance of three antiferromagnetic coupling states is nearly zero at the Fermi level. These theoretical results indicate that the novel 2D C3N monolayer is promising for molecular spintronics devices in the near future.

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Two-dimensional SiC Schottky junctions with symmetrical and asymmetrical metal electrode contacts

Xie

Cui

Cai

et al. 2022

Applied Surface Science

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Even-odd-dependent optical transitions of zigzag monolayer black phosphorus nanoribbons

Cited by 8 publications

References 58 publications

Edge and sublayer degrees of freedom for phosphorene nanoribbons with twofold-degenerate edge bands via electric field

Edge and sublayer degrees of freedom for phosphorene nanoribbons with twofold-degenerate edge bands via electric field

Design of a Giant Magnetoresistance Device with High Spin Filter Efficiency

Two-dimensional SiC Schottky junctions with symmetrical and asymmetrical metal electrode contacts

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