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Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility

TLDR
In this paper, the 2D counterpart of layered black phosphorus, which is called phosphorene, is introduced as an unexplored p-type semiconducting material and the authors find that the band gap is direct, depends on the number of layers and the in-layer strain, and significantly larger than the bulk value of 0.31-0.36 eV.
Abstract
We introduce the 2D counterpart of layered black phosphorus, which we call phosphorene, as an unexplored p-type semiconducting material. Same as graphene and MoS2, single-layer phosphorene is flexible and can be mechanically exfoliated. We find phosphorene to be stable and, unlike graphene, to have an inherent, direct, and appreciable band gap. Our ab initio calculations indicate that the band gap is direct, depends on the number of layers and the in-layer strain, and is significantly larger than the bulk value of 0.31–0.36 eV. The observed photoluminescence peak of single-layer phosphorene in the visible optical range confirms that the band gap is larger than that of the bulk system. Our transport studies indicate a hole mobility that reflects the structural anisotropy of phosphorene and complements n-type MoS2. At room temperature, our few-layer phosphorene field-effect transistors with 1.0 μm channel length display a high on-current of 194 mA/mm, a high hole field-effect mobility of 286 cm2/V·s, and an...

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2D materials and van der Waals heterostructures

TL;DR: Two-dimensional heterostructures with extended range of functionalities yields a range of possible applications, and spectrum reconstruction in graphene interacting with hBN allowed several groups to study the Hofstadter butterfly effect and topological currents in such a system.
Journal ArticleDOI

2D metal carbides and nitrides (MXenes) for energy storage

TL;DR: More than twenty 2D carbides, nitrides and carbonitrides of transition metals (MXenes) have been synthesized and studied, and dozens more predicted to exist.
Journal ArticleDOI

High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus

TL;DR: A detailed theoretical investigation of the atomic and electronic structure of few-layer black phosphorus (BP) is presented to predict its electrical and optical properties, finding that the mobilities are hole-dominated, rather high and highly anisotropic.
Journal ArticleDOI

Rediscovering black phosphorus as an anisotropic layered material for optoelectronics and electronics

TL;DR: Black phosphorus (BP), the most stable allotrope of phosphorus with strong intrinsic in-plane anisotropy, is reintroduced to the layered-material family and shows great potential for thin-film electronics, infrared optoelectronics and novel devices in which anisotropic properties are desirable.
Journal ArticleDOI

Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems

Andrea C. Ferrari, +68 more
- 04 Mar 2015 - 
TL;DR: An overview of the key aspects of graphene and related materials, ranging from fundamental research challenges to a variety of applications in a large number of sectors, highlighting the steps necessary to take GRMs from a state of raw potential to a point where they might revolutionize multiple industries are provided.
References
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Journal ArticleDOI

Generalized Gradient Approximation Made Simple

TL;DR: A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set.

TL;DR: An efficient scheme for calculating the Kohn-Sham ground state of metallic systems using pseudopotentials and a plane-wave basis set is presented and the application of Pulay's DIIS method to the iterative diagonalization of large matrices will be discussed.
Journal ArticleDOI

Special points for brillouin-zone integrations

TL;DR: In this article, a method for generating sets of special points in the Brillouin zone which provides an efficient means of integrating periodic functions of the wave vector is given, where the integration can be over the entire zone or over specified portions thereof.
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Two-dimensional gas of massless Dirac fermions in graphene

TL;DR: This study reports an experimental study of a condensed-matter system (graphene, a single atomic layer of carbon) in which electron transport is essentially governed by Dirac's (relativistic) equation and reveals a variety of unusual phenomena that are characteristic of two-dimensional Dirac fermions.
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Hybrid functionals based on a screened Coulomb potential

TL;DR: In this paper, a new hybrid density functional based on a screened Coulomb potential for the exchange interaction is proposed, which enables fast and accurate hybrid calculations, even of usually difficult metallic systems.
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