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Intralayer deformation in van der Waals (vdW) heterostructures is generally assumed to be negligible due to the weak nature of the interactions between the layers, especially when the interfaces are found incoherent. In the present work,…

Materials Science · Physics 2018-07-18 Benoit Van Troeye , Aurélien Lherbier , Jean-Christophe Charlier , Xavier Gonze

We present a paradigm in constructing very stable, faceted nanotube and fullerene structures by laterally joining nanoribbons or patches of different planar phosphorene phases. Our ab initio density functional calculations indicate that…

Materials Science · Physics 2015-06-23 Jie Guan , Zhen Zhu , David Tománek

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…

Based on ab initio evolutionary crystal structure search computation, we report a new phase of phosphorus called green phosphorus ({\lambda}-P), which exhibits the direct band gaps ranging from 0.7 to 2.4 eV and the strong anisotropy in…

Materials Science · Physics 2017-09-15 W. H. Han , Sunghyun Kim , In-Ho Lee , K. J. Chang

Mixing two chemical elements at the surface of a substrate is known to produce rich phase diagrams of surface alloys. Here, we extend the concept of surface alloying to the case where the two constituent elements are not both atoms, but…

Preceding the current interest in layered materials for electronic applications, research in the 1960's found that black phosphorus combines high carrier mobility with a fundamental band gap. We introduce its counterpart, dubbed few-layer…

Mesoscale and Nanoscale Physics · Physics 2014-04-25 Han Liu , Adam T. Neal , Zhen Zhu , David Tomanek , Peide D. Ye

High-level first-principles computations predict blue phosphorene bilayer to be a two-dimensional metal. This structure has not been considered before and was identified by employing a block-diagram scheme that yields the complete set of…

We have explored the unknown structure of the phosphorus in the phase IV (P-IV phase) based on the first-principles calculations using the metadynamics simulation method. Starting from the simple cubic structure, we found a new modulated…

Materials Science · Physics 2009-11-11 T. Ishikawa , H. Nagara , K. Kusakabe , N. Suzuki

Single crystals of orthorhombic black phosphorus can be grown by a short way transport reaction from red phosphorus and Sn/SnI4 as mineralization additive. Sizes of several millimeters can be realized with high crystal quality and purity,…

Phosphorene, a new two-dimensional (2D) semiconductor, has received much interest due to its robust direct band gap and high charge mobility. Currently, however, phosphorene can only be produced by mechanical or liquid exfoliation, and it…

Materials Science · Physics 2016-09-20 Junfeng Gao , Gang Zhang , Yong-Wei Zhang

Phosphorene is a promising two dimensional (2D) material with a direct band gap, high carrier mobility, and anisotropic electronic properties. Phosphorene-based electronic devices, however, are found to degrade upon exposure to air. In this…

Materials Science · Physics 2016-04-14 Gaoxue Wang , William J. Slough , Ravindra Pandey , Shashi P. Karna

We present an experimental investigation of a new polymorphic 2D single layer of phosphorus on Ag(111). The atomically-resolved scanning tunneling microscopy (STM) images show a new 2D material composed of freely-floating phosphorus…

Perfluoropentacene (PFP), an $n$-type organic semiconductor, is deposited at monolayer and bilayer coverage on Cu(111). Scanning tunneling microscopy at various bias voltages is used to investigate the geometric and electronic structure of…

Mesoscale and Nanoscale Physics · Physics 2020-04-22 S. Smalley , P. Darancet , J. R. Guest , J. A. Smerdon

Silicon can be heavily doped with phosphorus in a single atomic layer (a $\delta$ layer), significantly altering the electronic structure of the conduction bands within the material. Recent progress has also made it possible to further dope…

Materials Science · Physics 2026-02-26 Quinn T. Campbell , Andrew D. Baczewski , Shashank Misra , Evan M. Anderson

We report a study of the structural phase transitions induced by pressure in bulk black phosphorus by using both synchrotron x-ray diffraction for pressures up to 12.2 GPa and Raman spectroscopy up to 18.2 GPa. Very recently black…

Materials Science · Physics 2018-11-21 B. Joseph , S. Caramazza , F. Capitani , T. Clarté , F. Ripanti , P. Lotti , A. Lausi , D. Di Castro , P. Postorino , P. Dore

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

We show that oxidation of phosphorene can lead to the formation of a new family of planar (2D) and tubular (1D) oxides and sub-oxides, most of them insulating. This confers to black phosphorus a native oxide that can be used as barrier…

Mesoscale and Nanoscale Physics · Physics 2015-02-09 A. Ziletti , A. Carvalho , P. E. Trevisanutto , D. K. Campbell , D. F. Coker , A. H. Castro Neto

Few-layer black phosphorus (BP), also known as phosphorene, is poised to be the most attractive graphene analogue owing to its high mobility approaching that of graphene, and its thickness- tunable band gap that can be as large as that of…

Materials Science · Physics 2015-03-13 Joon-Seok Kim , Yingnan Liu , Weinan Zhu , Seohee Kim , Di Wu , Li Tao , Ananth Dodabalapur , Keji Lai , Deji Akinwande

Novel structural building blocks in compounds could induce interesting physical and chemical properties. Although phosphorus tends to form very different motifs, the existence of lone pair electrons has always prevented the formation of…

Superconductivity · Physics 2022-01-13 Xing Li , Xiaohua Zhang , Aitor Bergara , Guoying Gao , Yong Liu , Guochun Yang

Solid materials are commonly classified as crystalline or amorphous based on the presence or absence of long-range order.Metal-organic frameworks (MOFs), like other solids,also display markedly different properties and functions in these…