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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…

Mesoscale and Nanoscale Physics · Physics 2017-08-09 Bukyoung Jhun , Cheol-Hwan Park

Effect of electric field on the band structures of graphene/BN and BN/BN bilayers is investigated within the framework of density functional theory. A relatively large degree of modulation is predicted for the graphene/BN bilayer. The…

Materials Science · Physics 2015-05-30 Radhakrishnan Balu , Xiaoliang Zhong , Ravindra Pandey , Shashi P. Karna

The energy bandgap is an intrinsic character of semiconductors, which largely determines their properties. The ability to continuously and reversibly tune the bandgap of a single device during real time operation is of great importance not…

Mesoscale and Nanoscale Physics · Physics 2017-04-26 Shi-Li Yan , Zhi-Jian Xie , Jian-Hao Chen , Takashi Taniguchi , Kenji Watanabe

We investigate the electronic and optical properties of monolayer and stacking dependent bilayer blue phosphorus in the framework of density functional theory (DFT) and tight-binding approximations. We extract the hopping parameters of TB…

Mesoscale and Nanoscale Physics · Physics 2016-07-27 Y. Mogulkoc , M. Modarresi , A. Mogulkoc , Y. O. Ciftci

We use a tight binding approach and density functional theory calculations to study the band structure of graphene/hexagonal boron nitride bilayer system in the most stable configuration. We show that an electric field applied in the…

Materials Science · Physics 2010-11-10 J. Slawinska , I. Zasada , Z. Klusek

Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic…

Mesoscale and Nanoscale Physics · Physics 2017-09-07 Cem Sevik , John R. Wallbank , Oguz Gulseren , Francois M. Peeters , Deniz Cakır

It has been predicted that application of a strong electric field perpendicular to the plane of bilayer graphene can induce a significant band gap. We have measured the optical conductivity of bilayer graphene with an efficient electrolyte…

Mesoscale and Nanoscale Physics · Physics 2015-05-13 Kin Fai Mak , Chun Hung Lui , Jie Shan , Tony F. Heinz

We use an atomistic approach to study the electronic properties of monolayer and bilayer black phosphorus in the vicinity of a charged defect. In particular, we combine screened defect potentials obtained from first-principles linear…

Materials Science · Physics 2021-12-21 Martik Aghajanian , Arash A. Mostofi , Johannes Lischner

Phosphorene, a monolayer of black phosphorus, is promising for nanoelectronic applications not only because it is a natural p-type semiconductor but also it possesses a layer-number dependent direct bandgap (in the range of 0.3 eV~1.5 eV).…

Mesoscale and Nanoscale Physics · Physics 2014-03-26 Jun Dai , Xiao Cheng Zeng

The objective of this work is to study the effects of charge redistribution, applied layer-normal electric fields, applied strain, and layer engineering on the band alignment of Black Phosphorus (BP)/Molybdenum disulphide (MoS2)…

Materials Science · Physics 2022-12-28 Nupur Navlakha , Priyamvada Jadaun , Leonard F. Register , Sanjay K. Banerjee

We report the results of density functional theory (DFT) based calculations on monolayer and bilayer green phosphorene and their heterostructures with MoSe2. Both monolayer and bilayer green phosphorene are direct band gap semiconductors…

Materials Science · Physics 2018-11-26 Sumandeep Kaur , Ashok Kumar , Sunita Srivastava , K. Tankeshwar , Ravindra Pandey

The electronic structure evolutions of few-layer black phosphorus (BP) under pressure shows a wealth of phenomena, such as the nonmonotonic change of direct gap at the {\Gamma} point, the layer-number dependence, and the distinct responses…

Phosphorene is a novel two-dimensional material that can be isolated through mechanical exfoliation from layered black phosphorus, but unlike graphene and silicene, monolayer phosphorene has a large band gap. It was thus unsuspected to…

Materials Science · Physics 2015-02-18 Qihang Liu , Xiuwen Zhang , L. B. Abdalla , A. Fazzio , Alex Zunger

Through infrared spectroscopy, we systematically study the pressure effect on electronic structures of few-layer black phosphorus (BP) with layer number ranging from 2 to 13. We reveal that the pressure-induced shift of optical transitions…

We study the effect of vertical electric field (E-field) on the electronic properties of multilayer graphene. We show that the effective mass, electron velocity and density-of-state of a bilayer graphene are modified under the E-field. We…

Mesoscale and Nanoscale Physics · Physics 2011-07-29 S. Bala kumar , Jing Guo

{\it Ab initio} density functional theory calculations are performed to investigate the electronic structure of MoS$_2$ armchair nanoribbons in the presence of an external static electric field. Such nanoribbons, which are nonmagnetic and…

Mesoscale and Nanoscale Physics · Physics 2013-08-29 Kapildeb Dolui , Chaitanya Das Pemmaraju , Stefano Sanvito

Recently fabricated two dimensional (2D) phosphorene crystal structures have demonstrated great potential in applications of electronics. In this work, strain effect on the electronic band structure of phosphorene was studied using first…

Materials Science · Physics 2014-08-11 Xihong Peng , Andrew Copple , Qun Wei

Phosphorene, a two-dimensional (2D) analog of black phosphorous, has been a subject of immense interest recently, due to its high carrier mobilities and a tunable bandgap. So far, tunability has been predicted to be obtained with very high…

Materials Science · Physics 2015-06-23 Aaditya Manjanath , Atanu Samanta , Tribhuwan Pandey , Abhishek K. Singh

Phosphorene, a single atomic layer of black phosphorus, has recently emerged as a new twodimensional (2D) material that holds promise for electronic and photonic technology. Here we experimentally demonstrate that the electronic structure…

The effect of the number of stacking layers and the type of stacking on the electronic and optical properties of bilayer and trilayer black phosphorus are investigated by using first principles calcula- tions within the framework of density…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Deniz Cakir , Cem Sevik , Francois M. Peeters
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