Electronic Structure of Black Phosphorus in Tight Binding Approach

Takao, Yukihiro; Asahina, Hideo; Morita, Akira

doi:10.1143/jpsj.50.3362

Cited by 292 publications

(223 citation statements)

References 7 publications

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“…[34][35][36] From band structure calculation, it can be seen that for both the electron and the hole, the effective mass in the x-y plane is fairly large. The effective mass in the x-direction is lightest, and that in the layer-stacking z direction is lighter than that in the in-plane y-direction due to the van der Waals Magnetoresistance was also studied in these samples down to 0.5 K in temperature and up to 6 T in magnetic fields, and 2D Anderson localization was also observed.…”

Section: Electrical Conduction and Carrier Mobilitymentioning

confidence: 99%

Semiconducting black phosphorus: synthesis, transport properties and electronic applications

et al. 2015

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Section: Electrical Conduction and Carrier Mobilitymentioning

confidence: 99%

Semiconducting black phosphorus: synthesis, transport properties and electronic applications

et al. 2015

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“…Therefore phosphorene band structure is described by a mixture of the s and p orbitals. However, the largest contribution to the wave function close to the Fermi level comes from p z -orbitals [58][59][60]. As a result the low energy spectrum of single layer phosphorene can be described by an effective tight-binding model accounting for only p z -orbitals [61].…”

Section: Theoretical Modelmentioning

confidence: 99%

Electro-optical properties of phosphorene quantum dots

et al. 2017

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We study electronic and optical properties of single layer phosphorene quantum dots with various shapes, sizes, and edge types (including disordered edges) subjected to an external electric field normal to the structure plane. Compared to graphene quantum dots, in phosphorene clusters of similar shape and size there is a set of edge states with energies dispersed at around the Fermi level. These states make the majority of phosphorene quantum dots metallic and enrich the phosphorene absorption gap with low-energy absorption peaks tunable by the electric field. The presence of the edge states dispersed at around the Fermi level is a characteristic feature that is independent of the edge morphology and roughness.

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“…The symmetry notations are the same as used by previous authors and are listed in the Appendix. 23,24 The basic electronic structure that emerges from the DFT results is shown schematically in Fig. 3.…”

Section: B Density-functional Electronic Structurementioning

confidence: 99%

“…We have used the same symmetry notations as earlier authors, 23,24 which are given here to make the discussions self contained.…”

Section: Appendix A: Character Table For D 2hmentioning

confidence: 99%

Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus

2015

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We investigate the electronic structure of the monolayer black phosphorus (BP) using density functional methods both with and without an applied electric field. We find that a simple one-band tight-binding Hamiltonian based on the pz orbitals and nearest-neighbor hopping is sufficient to describe the band structure in the gap region rather well and justification for this is given from symmetry arguments. The anisotropic nature of the band structure leads in turn to an anisotropic Rashba effect, where the magnitude of the spin splitting caused by an applied electric field is not only momentum dependent, but also depends on the direction of k. The Rashba Hamiltonian is generalized for the anisotropic case, which reads: HR = αR( σ × k ′ ) ·ẑ, where the scaled momentum k ′ contains the anisotropy effect. The Rashba effect is studied quantitatively for BP from ab initio density-functional calculations in the presence of an applied electric field. A by-product of this work is the demonstration that the strength of the spin-orbit coupling for the outermost electrons in the atoms, which are relevant for the solids, increases only as the Landau-Lifshitz Z 2 scaling with the atomic number Z, rather than the higher power Z 4 scaling, as sometimes thought.

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Electronic Structure of Black Phosphorus in Tight Binding Approach

Cited by 292 publications

References 7 publications

Semiconducting black phosphorus: synthesis, transport properties and electronic applications

Semiconducting black phosphorus: synthesis, transport properties and electronic applications

Electro-optical properties of phosphorene quantum dots

Electronic structure and anisotropic Rashba spin-orbit coupling in monolayer black phosphorus

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