2017
DOI: 10.1103/physrevb.96.085412
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Electronic structure of charged bilayer and trilayer phosphorene

Abstract: We have investigated the electronic structure of charged bilayer and trilayer phoshporene using first-principles, density-functional-theory calculations. We find that the effective dielectric constant for an external electric field applied perpendicular to phosphorene layers increases with the charge density and is twice as large as in an undoped system if the electron density is around 5 × 10 13 cm −2 . It is known that if few-layer phosphorene is placed under such an electric field, the electron band gap dec… Show more

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Cited by 17 publications
(11 citation 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%
“…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%
“…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%
“…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%