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Related papers: Multilayers black phosphorus: from tight-binding t…

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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 provide a tight-binding model parametrization for black phosphorus (BP) with an arbitrary number of layers. The model is derived from partially self-consistent $GW_0$ approach, where the screened Coulomb interaction $W_0$ is calculated…

Materials Science · Physics 2015-08-19 A. N. Rudenko , Shengjun Yuan , M. I. Katsnelson

In this work we introduce a low-energy Hamiltonian for single layer and bilayer black phosphorus that describes the electronic states at the vicinity of the gamma point. The model is based on a recently proposed tight-binding description…

Mesoscale and Nanoscale Physics · Physics 2015-09-02 J. M. Pereira , M. I. Katsnelson

Phosphorene and its components are highly reactive to oxygen when exposed to ambient conditions due to the presence of lone pairs of electrons on phosphorus atoms. Functionalization serves as a solution to prevent the chemical degradation…

The monolayer of black phosphorous, or phosphorene, has recently emerged as a new 2D semiconductor with intriguing highly anisotropic transport properties. Existing calculations of its intrinsic phonon-limited electronic transport…

Materials Science · Physics 2015-06-24 Bolin Liao , Jiawei Zhou , Bo Qiu , Mildred S. Dresselhaus , Gang Chen

We study the electronic and optical properties of single- and bilayer black phosphorus with shortand long-range defects by using the tight-binding propagation method. Both types of defect states are localized and induce a strong scattering…

Mesoscale and Nanoscale Physics · Physics 2015-05-12 Shengjun Yuan , A. N. Rudenko , M. I. Katsnelson

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, the single- or few-layer form of black phosphorus, was recently rediscovered as a twodimensional layered material holding great promise for applications in electronics and optoelectronics. Research into its fundamental…

Materials Science · Physics 2015-06-19 Liangzhi Kou , Changfeng Chen , Sean C. Smith

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…

A single atomic layer of black phosphorus, phosphorene, was experimentally realized in 2014. It has a puckered honeycomb lattice structure and a semiconducting electronic structure. In the first part of this paper, we use a simple LCAO…

Mesoscale and Nanoscale Physics · Physics 2015-10-22 Shuhei Fukuoka , Toshihiro Taen , Toshihito Osada

Isolation and characterization of mechanically exfoliated black phosphorus flakes with a thickness down to two single-layers is presented. A modification of the mechanical exfoliation method, which provides higher yield of atomically thin…

We employ a tight-binding parametrization based on the Slater Koster model in order to fit the band structures of single-layer, bilayer and bulk black phosphorus obtained from first-principles calculations. We find that our model, which…

Mesoscale and Nanoscale Physics · Physics 2017-12-13 Marcos G. Menezes , Rodrigo B. Capaz

Phosphorene, an elemental 2D material, which is the monolayer of black phosphorus, has been mechanically exfoliated recently. In its bulk form, black phosphorus shows high carrier mobility (~10000 cm2/Vs) and a ~0.3 eV direct bandgap.…

Mesoscale and Nanoscale Physics · Physics 2014-10-30 Yexin Deng , Zhe Luo , Nathan J. Conrad , Han Liu , Yongji Gong , Sina Najmaei , Pulickel M. Ajayan , Jun Lou , Xianfan Xu , Peide D. Ye

Thin layers of black phosphorus have recently raised interest for their two-dimensional (2D) semiconducting properties, such as tunable direct bandgap and high carrier mobilities. This lamellar crystal of P atoms stacked together by weak…

Mesoscale and Nanoscale Physics · Physics 2014-08-22 A. Favron , E. Gaufrès , F. Fossard , P. L. Lévesque , A-L. Phaneuf-L'Heureux , N. Y-W. Tang , A. Loiseau , R. Leonelli , S. Francoeur , R. Martel

This review work addresses the recent advances in solving more comprehensive Hamiltonians. The generalized tight-binding model is developed to investigate the feature-rich quantization phenomena in emergent 2D materials. The mutli-orbital…

Materials Science · Physics 2016-07-12 S. C. Chen , J. Y. Wu , C. Y. Lin , M. F. Lin

Phosphorene, a monolayer of black phosphorus (BP), is an elemental two-dimensional material with interesting physical properties, such as high charge carrier mobility and exotic anisotropic in-plane properties. To fundamentally understand…

Mesoscale and Nanoscale Physics · Physics 2019-12-04 Yangjin Lee , Sol Lee , Jun-Yoeong Yoon , Jinwoo Cheon , Hu Young Jeong , Kwanpyo Kim

The presence of finite bandgap and high mobility in semiconductor few-layer black phosphorus offers an attractive prospect for using this material in future two-dimensional electronic devices. Here we demonstrate for the first time fully…

Atomically thin black phosphorus (BP) is a promising two-dimensional material for fabricating electronic and optoelectronic nano-devices with high mobility and tunable bandgap structures. However, the charge-carrier mobility in few-layer…

We investigate theoretically the Landau levels (LLs) and magneto-transport properties of phosphorene under a perpendicular magnetic field within the framework of the effective \textbf{\emph{k$\cdot$p}} Hamiltonian and tight-binding (TB)…

Mesoscale and Nanoscale Physics · Physics 2015-07-13 X. Y. Zhou , R. Zhang , J. P. Sun , Y. L. Zou , D. Zhang , W. K. Lou , F. Cheng , G. H. Zhou , F. Zhai , Kai Chang

Phosphorene, the 2D material derived from black phosphorus, has recently attracted a lot of interest for its properties, suitable for applications in material science. In particular, the physical features and the prominent chemical…

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