Electronic structure of charged bilayer and trilayer phosphorene

Jhun, Bukyoung; Park, Cheol-Hwan

doi:10.1103/physrevb.96.085412

Cited by 16 publications

(11 citation statements)

References 36 publications

(45 reference statements)

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“…The stable stacking order of bilayer phosphorene is of the AB type such that the bottom layer is shifted half the lattice period along the x or y directions, and this is in agreement with previous studies [95,96]. The crystal structure of AB-stacked bilayer phosphorene is shown in Figure 19a When two monolayers are combined to create a bilayer, the gap reduces and two additional bands emerge around the gap at the Γ point [97].…”

Section: Bilayer Phosphorenesupporting

confidence: 89%

Plasmonic Physics of 2D Crystalline Materials

Torbatian

Asgari

2018

Applied Sciences

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Collective modes of doped two-dimensional crystalline materials, namely graphene, MoS 2 and phosphorene, both monolayer and bilayer structures, are explored using the density functional theory simulations together with the random phase approximation. The many-body dielectric functions of the materials are calculated using an ab initio based model involving material-realistic physical properties. Having calculated the electron energy-loss, we calculate the collective modes of each material considering the in-phase and out-of-phase modes for bilayer structures. Furthermore, owing to many band structures and intreband transitions, we also find high-energy excitations in the systems. We explain that the material-specific dielectric function considering the polarizability of the crystalline material such as MoS 2 are needed to obtain realistic plasmon dispersions. For each material studied here, we find different collective modes and describe their physical origins.

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Section: Bilayer Phosphorenesupporting

confidence: 89%

Plasmonic Physics of 2D Crystalline Materials

Torbatian

Asgari

2018

Applied Sciences

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“…We note that in Ref. [27], similar results were obtained for this band-gap tuning in multilayer phosphorene by using first-principles calculations. However, the obtained results were restricted to the cases of bilayer and trilayer phosphorene and the screening effect was induced differently, i.e., by considering a charged system (our screening effect is induced by the gate electric field).…”

Section: Effective Mass and Band Gapsupporting

confidence: 82%

Tuning the electronic properties of gated multilayer phosphorene: A self-consistent tight-binding study

Partoens

Peeters

2018

Phys. Rev. B

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By taking account of the electric-field-induced charge screening, a self-consistent calculation within the framework of the tight-binding approach is employed to obtain the electronic band structure of gated multilayer phosphorene and the charge densities on the different phosphorene layers. We find charge density and screening anomalies in single-gated multilayer phosphorene and electron-hole bilayers in dual-gated multilayer phosphorene. Due to the unique puckered lattice structure, both intralayer and interlayer charge screenings are important in gated multilayer phosphorene. We find that the electric-field tuning of the band structure of multilayer phosphorene is distinctively different in the presence and absence of charge screening. For instance, it is shown that the unscreened band gap of multilayer phosphorene decreases dramatically with increasing electric-field strength. However, in the presence of charge screening, the magnitude of this band-gap decrease is significantly reduced and the reduction depends strongly on the number of phosphorene layers. Our theoretical results of the band-gap tuning are compared with recent experiments and good agreement is found.

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“…With the development of graphene, boron nitride (h-BN), transition metal sulfides (TMDs), monoene, transition metal carbides, transition metal oxides and other 2D materials, some drawbacks have gradually emerged [1][2][3][4][5][6][7][8][9], such as the band gap loss of graphene, the low carrier concentration of TMDs and so on. In order to meet the specific needs of production, some new 2D materials, such as metal iodide, have been explored [10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

First-principles study of structures, elastic and optical properties of single-layer metal iodides under strain

Ran

Chen

et al. 2020

Zeitschrift Für Naturforschung A

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The structure, elastic, electronic and optical properties of two-dimensional (2D) MI2 (M = Pb, Ge, Cd) under strain are systematically studied by the first-principles method. It is proved that the monolayer structure of 2D-MI2 is stable by phonon spectra. Moreover, the large ideal strain strength (40%), the large range of strain and the elastic constants of far smaller than other 2D materials indicate that the single-layer PbI2 and GeI2 possess excellent ductility and flexibility. By applying appropriate strain to the structure of 2D-MI2, the band gaps of single-layer MI2 can be effectively controlled (PbI2: 1.04 ∼ 3.03 eV, GeI2: 0.43 ∼ 2.99 eV and CdI2: 0.54 ∼ 3.36 eV). It is found that the wavelength range of light absorbed by these three metal iodides is 82–621 nm, so 2D-MI2 has great absorption intensity for ultraviolet light in a large wavelength range, and the strain of structure can effectively regulate the optical parameters.

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Electronic structure of charged bilayer and trilayer phosphorene

Cited by 16 publications

References 36 publications

Plasmonic Physics of 2D Crystalline Materials

Plasmonic Physics of 2D Crystalline Materials

Tuning the electronic properties of gated multilayer phosphorene: A self-consistent tight-binding study

First-principles study of structures, elastic and optical properties of single-layer metal iodides under strain

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