Electric field induced gap modification in ultrathin blue phosphorus

Ghosh, Bahniman; Nahas, Suhas; Bhowmick, Somnath; Agarwal, Amit

doi:10.1103/physrevb.91.115433

Cited by 151 publications

(169 citation statements)

References 36 publications

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“…11,20,[34][35][36] Thus, it is interesting to investigate the tunable mechanism of the vertical E-field as to the band structure of few-layer BP. In our study, we examine the BP materials from monolayer to four-layer.…”

Section: Resultsmentioning

confidence: 99%

Effect of multilayer structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide

Chen

Tan

Yang

et al. 2016

Phys. Chem. Chem. Phys.

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Development of nanoelectronics requires two-dimensional (2D) systems with both direct-bandgap and tunable electronic properties as they act in response to the external electric field (E-field). Here, we present a detailed theoretical investigation to predict the effect of atomic structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide (BP). We demonstrate that the splitting of bands and bandgap of BP depends on the number of layers and the stacking order. The values for the bandgap show a monotonically decreasing relationship with increasing layer number. We also show that AB-stacking BP has a direct-bandgap, while ABA-stacking BP has an indirect-bandgap when the number of layers n > 2. In addition, for a bilayer and a trilayer, the bandgap increases (decreases) as the electric field increases along the positive direction of the external electric field (E-field) (negative direction). In the case of four-layer BP, the bandgap exhibits a nonlinearly decreasing behavior as the increase in the electric field is independent of the electric field direction. The tunable mechanism of the bandgap can be attributed to a giant Stark effect. Interestingly, the investigation also shows that a semiconductor-to-metal transition may occur for the four-layer case or more layers beyond the critical electric field. Our findings may inspire more efforts in fabricating new nanoelectronics devices based on few-layer BP.

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Section: Resultsmentioning

confidence: 99%

Effect of multilayer structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide

Chen

Tan

Yang

et al. 2016

Phys. Chem. Chem. Phys.

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“…For bilayer Blue-P, the favorable stacking construction is the A-A type, with a mirror symmetry between two layers, and the corresponding point group is D 3d [19]. After the intercalation of monolayer metal ions, .…”

Section: Crystalline and Electronic Structuresmentioning

confidence: 99%

Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations

Zhang

Dong

2016

2D Mater.

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Abstract. First-principles calculations predicted monolayer blue phosphorus to be an alternative two-dimensional allotrope of phosphorus, like the recently discovered monolayer black phosphorus. Due to its unique crystalline and electronic structure, blue phosphorus may be a promising candidate as a BCS-superconductor after proper intercalation. In this study, using first-principles calculations, the favorable intercalation sites for some alkali metals and alkaline earths have been identified for Blue-P bilayer and the stacking configuration of bilayer is changed. Then the blue phosphorus bilayer transforms from a semiconductor to a metal due to the charge transfer from metal to phosphorus. Own to the strong electron-phonon coupling, isotropic superconducting state is induced and the calculated transition temperatures are 20.4, 20.1, and 14.4K for Li-, Na-, and Mg-intercaltion, respectively, which is superior to other predicted or experimentally observed two-dimensional BCSsuperconductors.

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“…The bandgap can be further tuned in a large range through applying external electric fields [16]. Moreover, the in-layer hexagonal lattice of BP is close to that of MoS 2 and more importantly, the lattice mismatch between them is reasonably low (∼3%).…”

Section: Introductionmentioning

confidence: 97%

“…Besides the intensely studied graphene, single-and few-layer hexagonal boron nitride (hBN) [2][3][4], molybdenum dichalcogenides such as MoS 2 and MoSe 2 [5][6][7][8], and recently exploited phosphorene [9][10][11][12][13][14][15][16] and arsenene [17][18][19][20] have been attracting intense attention. Researches on these 2D materials will undoubtedly continue to be one of the hottest topics for long time.…”

Section: Introductionmentioning

confidence: 99%

Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS2: A first principles calculation

Zhang

Peng

et al. 2015

Journal of Solid State Chemistry

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engineering in van der Waals heterostructures of blue phosphorene and MoS 2 : A first principles calculation, Journal of Solid State Chemistry, http://dx.Abstract Blue phosphorene (BP) was theoretically predicted to be thermally stable recently. Considering its similar in-layer hexagonal lattice to MoS 2 , MoS 2 could be appropriate substrate to grow BP in experiments. In this work, the van der Waals (vdW) heterostructures are constructed by stacking BP on top of MoS 2 . The thermal stability and electronic structures are evaluated based on first principles calculations with vdW-corrected exchange-correlation functional. The formation of the heterostructures is demonstrated to be exothermic and the most stable stacking configuration is confirmed. The heterostructures BP/MoS 2 preserve both the properties of BP and MoS 2 but exhibit relatively narrower bandgaps due to the interlayer coupling effect. The band structures can be further engineered by applying external electric fields. An indirect-direct bandgap transition in bilayer BP/MoS 2 is demonstrated controlled by the symmetry property of the built-in electric dipole fields.

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Electric field induced gap modification in ultrathin blue phosphorus

Cited by 151 publications

References 36 publications

Effect of multilayer structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide

Effect of multilayer structure, stacking order and external electric field on the electrical properties of few-layer boron-phosphide

Prediction of above 20 K superconductivity of blue phosphorus bilayer with metal intercalations

Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS2: A first principles calculation

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