Disorder effect on the anisotropic resistivity of phosphorene determined by a tight-binding model

Páez, C. J.; DeLello, Kursti; Le, Duy; Pereira, Ana Luiza Cardoso; Mucciolo, Eduardo R.

doi:10.1103/physrevb.94.165419

Cited by 25 publications

(24 citation statements)

References 51 publications

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“…Nevertheless, the use of such model is well validated, by means of comparisons with first-principle electronic structure calculations [20–21], for the very energy window of interest around the gap, namely a double central band. This central band for zigzag phosphorene nanoribbons has been predicted for phosphorene [11–12] and is absent in graphene.…”

Section: Resultsmentioning

confidence: 99%

Zigzag phosphorene nanoribbons: one-dimensional resonant channels in two-dimensional atomic crystals

Páez

Bahamon

Pereira

et al. 2016

Beilstein J. Nanotechnol.

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We theoretically investigate phosphorene zigzag nanoribbons as a platform for constriction engineering. In the presence of a constriction at one of the edges, quantum confinement of edge-protected states reveals conductance peaks, if the edge is uncoupled from the other edge. If the constriction is narrow enough to promote coupling between edges, it gives rise to Fano-like resonances as well as antiresonances in the transmission spectrum. These effects are shown to mimic an atomic chain like behavior in a two dimensional atomic crystal.

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Section: Resultsmentioning

confidence: 99%

Zigzag phosphorene nanoribbons: one-dimensional resonant channels in two-dimensional atomic crystals

Páez

Bahamon

Pereira

et al. 2016

Beilstein J. Nanotechnol.

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“…However, the sound velocities are coincided at all angles Θ for two sets of masses from Refs. [37] and [38], correspondingly. Since at low momenta the sound-like energy spectrum of collective excitations in the dipolar exciton system in a phosphorene double layer satisfies to the Landau criterion for superfluidity, the dipolar exciton superfluidity in a black phosphorene double layer is possible.…”

Section: Collective Excitations For Dipolar Excitons In a Black mentioning

confidence: 99%

“…Let us mention that we chose to use the set of masses from Ref. [37], because this set results in higher exciton binding energy. We used the number of h-BN monolayers between the phosphorene monolayers N L = 7 for Figs.…”

mentioning

confidence: 99%

Superfluidity of dipolar excitons in a transition metal dichalcogenide double layer

Berman

Kezerashvili

2017

Phys. Rev. B

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We study the formation of dipolar excitons and their superfluidity in a black phosphorene double layer. The analytical expressions for the single dipolar exciton energy spectrum and wave function are obtained. It is predicted that a weakly interacting gas of dipolar excitons in a double layer of black phosphorus exhibits superfluidity due to the dipole-dipole repulsion between the dipolar excitons. In calculations are employed the Keldysh and Coulomb potentials for the interaction between the charge carriers to analyze the influence of the screening effects on the studied phenomena. It is shown that the critical velocity of superfluidity, the spectrum of collective excitations, concentrations of the superfluid and normal component, and mean field critical temperature for superfluidity are anisotropic and demonstrate the dependence on the direction of motion of dipolar excitons. The critical temperature for superfluidity increases if the exciton concentration and the interlayer separation increase. It is shown that the dipolar exciton binding energy and mean field critical temperature for superfluidity are sensitive to the electron and hole effective masses. The proposed experiment to observe a directional superfluidity of excitons is addressed.

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“…Moreover, they describe only a limited number of bands, not taking into account most of the higher energy states. In a second class of parametrizations, based on atomic orbitals, the proposed models include all s and p orbitals, but employ a large number of parameters and can become very complex [24]. The reason for that is that the hopping between a pair of sites is parametrized individually (considering the symmetries of the structure), so they do not obey an analytical functional form with distance.…”

Section: Introductionmentioning

confidence: 99%

Tight binding parametrization of few-layer black phosphorus from first-principles calculations

Menezes

Capaz

2018

Computational Materials Science

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W e employ a tight-binding parametrization based on the Slater Koster model in order to fit the band structures of single-layer, bilayer and bulk black phosphorus obtained from first-principles calculations. We find that our model, which includes 9 or 17 parameters depending on whether overlap is included or not, reproduces quite well the ab-initio band structures over a wide energy range, especially the occupied bands. We also find that the Inclusion of overlap parameters improves the quality of the fit for the conduction bands. On the other hand, hopping and on-site energies are consistent throughout the different systems, which is an indication that our model is suitable for calculations on multilayer black phosphorus and more complex situations in which first-principles calculations become prohibitive, such as disordered systems and heterostructures with a large lattice mismatch. We also discuss the limitations of the model and how the fit procedure can be improved for a more accurate description of bands in the vicinity of the Fermi energy.

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Disorder effect on the anisotropic resistivity of phosphorene determined by a tight-binding model

Cited by 25 publications

References 51 publications

Zigzag phosphorene nanoribbons: one-dimensional resonant channels in two-dimensional atomic crystals

Zigzag phosphorene nanoribbons: one-dimensional resonant channels in two-dimensional atomic crystals

Superfluidity of dipolar excitons in a transition metal dichalcogenide double layer

Tight binding parametrization of few-layer black phosphorus from first-principles calculations

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