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Phase coexistence and metal-insulator transition in few-layer phosphorene: A computational study  [PDF]
Jie Guan,Zhen Zhu,David Tománek
Physics , 2014, DOI: 10.1103/PhysRevLett.113.046804
Abstract: Based on {\em ab initio} density functional calculations, we propose $\gamma$-P and $\delta$-P as two additional stable structural phases of layered phosphorus besides the layered $\alpha$-P (black) and $\beta$-P (blue) phosphorus allotropes. Monolayers of some of these allotropes have a wide band gap, whereas others, including $\gamma$-P, show a metal-insulator transition caused by in-layer strain or changing the number of layers. An unforeseen benefit is the possibility to connect different structural phases at no energy cost. This becomes particularly valuable in assembling heterostructures with well-defined metallic and semiconducting regions in one contiguous layer.
Black Arsenic-Phosphorus: Layered Anisotropic Infrared Semiconductors with Highly Tunable Compositions and Properties  [PDF]
Bilu Liu,Marianne K?pf,Ahmad A. Abbas,Xiaomu Wang,Qiushi Guo,Yichen Jia,Fengnian Xia,Richard Weihrich,Frederik Bachhuber,Florian Pielnhofer,Han Wang,Rohan Dhall,Stephen B. Cronin,Mingyuan Ge,Xin Fang,Tom Nilges,Chongwu Zhou
Physics , 2015,
Abstract: Two-dimensional (2D) layered materials with diverse properties have attracted significant interest in the past decade. The layered materials discovered so far have covered a wide, yet discontinuous electromagnetic spectral range from semimetallic graphene, insulating boron nitride, to semiconductors with bandgaps from middle infrared to visible light. Here, we introduce new layered semiconductors, black arsenic-phosphorus (b-AsP), with highly tunable chemical compositions and electronic and optical properties. Transport and infrared absorption studies demonstrate the semiconducting nature of b-AsP with tunable bandgaps, ranging from 0.3 to 0.15 eV. These bandgaps fall into long-wavelength infrared (LWIR) regime and cannot be readily reached by other layered materials. Moreover, polarization-resolved infrared absorption and Raman studies reveal in-plane anisotropic properties of b-AsP. This family of layered b-AsP materials extend the electromagnetic spectra covered by 2D layered materials to the LWIR regime, and may find unique applications for future all 2D layered material based devices.
Semiconducting Black Phosphorus: Synthesis, Transport Properties and Electronic Applications  [PDF]
Han Liu,Yuchen Du,Yexin Deng,Peide D. Ye
Physics , 2014, DOI: 10.1039/c4cs00257a
Abstract: Phosphorus is one of the most abundant elements preserved in earth, constructing with a fraction of ~0.1% of the earth crust. In general, phosphorus has several allotropes. The two most commonly seen allotropes, white and red phosphorus, are widely used in explosives and safety matches. In addition, black phosphorus, though rarely mentioned, is a layered semiconductor and have great potentials in optical and electronic applications. Remarkably, this layered material can be reduced to one single atomic layer in the vertical direction owing to the van der Waals structure, known as phosphorene, where the physical properties can be tremendously different from its bulk counterpart. In this review article, we trace back to the 100 years research history on black phosphorus from the synthesis to material properties, and extend the topic from black phosphorus to phosphorene. The physical and transport properties are highlighted, aiming at further applications in electronic and optoelectronics devices.
Dirac Fermions in Blue-Phosphorus  [PDF]
Yuanchang Li,Xiaobin Chen
Physics , 2014, DOI: 10.1088/2053-1583/1/3/031002
Abstract: We propose that Dirac cones can be engineered in phosphorene with fourfold-coordinated phosphorus atom. The key is to separate in energy the in-plane ($s$, $p_x$ and $p_y$) and out-of-plane ($p_z$) oribtals through the $sp^2$ configuration, yielding respective $\sigma$- and $\pi$-character Dirac cones, and then quench the latter. As a proof-of-principle study, we realize $\sigma$-character Dirac cone in hydrogenated/fluorinated phosphorene with the honeycomb lattice. The obtained Dirac cones are at $K$-points, slightly anisotropic, with Fermi velocities of 0.91/1.23 times that of graphene along $\Gamma$K/KM direction, and maintain a good linearity up to $\sim$2 eV for holes. One substantive advantage of $\sigma$-character Dirac cone is its convenience to tune the Dirac gap via in-plane strain. Our findings pave a new way for development of high performance electronic devices based on Dirac materials.
Strain engineering in semiconducting two-dimensional crystals  [PDF]
Rafael Roldán,Andres Castellanos-Gomez,Emmanuele Cappelluti,Francisco Guinea
Physics , 2015, DOI: 10.1088/0953-8984/27/31/313201
Abstract: One of the fascinating properties of the new families of two-dimensional crystals is their high stretchability and the possibility to use external strain to manipulate, in a controlled manner, their optical and electronic properties. Strain engineering, understood as the field that study how the physical properties of materials can be tuned by controlling the elastic strain fields applied to it, has a perfect platform for its implementation in the atomically thin semiconducting materials. The object of this review is to give an overview of the recent progress to control the optical and electronics properties of 2D crystals, by means of strain engineering. We will concentrate on semiconducting layered materials, with especial emphasis in transition metal dichalcogenides (MoS$_2$, WS$_2$, MoSe$_2$ and WSe$_2$). The effect of strain in other atomically thin materials like black phosphorus, silicene, etc., is also considered. The benefits of strain engineering in 2D crystals for applications in nanoelectronics and optoelectronics will be revised, and the open problems in the field will be discussed.
Semiconducting properties of layered cadmium sulphide-based hybrid nanocomposites  [cached]
López-Caba?a Zoraya,Sotomayor Torres Clivia,González Guillermo
Nanoscale Research Letters , 2011,
Abstract: A series of hybrid cadmium salt/cationic surfactant layered nanocomposites containing different concentrations of cadmium sulphide was prepared by exchanging chloride by sulphide ions in the layered precursor CdX x (OH) y (CnTA) z in a solid phase/gas reaction, resulting in a series of layered species exhibiting stoichiometries corresponding to CdS v X x (OH) y (CnTA) z , constituted by two-dimensional CdCl2/CdS ultra-thin sheets sandwiched between two self-assembled surfactant layers. The electronic structure of CdS in the nanocomposite is similar to that of bulk, but showing the expected features of two-dimensional confinement of the semiconductor. The nanocomposite band gap is found to depend in a non-linear manner on both the length of the hydrocarbon chain of the surfactant and the concentration of the sulphide in the inorganic sheet. The products show photocatalytic activity at least similar and usually better than that of "bulk" CdS in a factor of two.
Smectic blue phases: layered systems with high intrinsic curvature  [PDF]
B. A. DiDonna,Randall D. Kamien
Physics , 2003, DOI: 10.1103/PhysRevE.68.041703
Abstract: We report on a construction for smectic blue phases, which have quasi-long range smectic translational order as well as three dimensional crystalline order. Our proposed structures fill space by adding layers on top of a minimal surface, introducing either curvature or edge defects as necessary. We find that for the right range of material parameters, the favorable saddle-splay energy of these structures can stabilize them against uniform layered structures. We also consider the nature of curvature frustration between mean curvature and saddle-splay.
Numerically improved computational scheme for the optical conductivity tensor in layered systems  [PDF]
A. Vernes,L. Szunyogh,P. Weinberger
Physics , 2000, DOI: 10.1088/0953-8984/13/7/314
Abstract: The contour integration technique applied to calculate the optical conductivity tensor at finite temperatures in the case of layered systems within the framework of the spin-polarized relativistic screened Korringa-Kohn-Rostoker band structure method is improved from the computational point of view by applying the Gauss-Konrod quadrature for the integrals along the different parts of the contour and by designing a cumulative special points scheme for two-dimensional Brillouin zone integrals corresponding to cubic systems.
Intrinsic defects, fluctuations of the local shape, and the photo-oxidation of black phosphorus  [PDF]
Kainen L. Utt,Pablo Rivero,Mehrshad Mehboudi,Edmund O. Harriss,Mario F. Borunda,Alejandro A. Pacheco SanJuan,Salvador Barraza-Lopez
Physics , 2015,
Abstract: Black phosphorus is a monoatomic semiconducting layered material that degrades exothermically in the presence of light and ambient contaminants. Its degradation dynamics remain largely unknown. Even before degradation, local-probe studies indicate non-negligible local curvature --through a non-constant height distribution-- due to the unavoidable presence of intrinsic defects. We establish that these intrinsic defects are photo-oxidation sites because they lower the chemisorption barrier of ideal black phosphorus (> 10 eV and out of visible-range light excitations) right into the visible and ultra-violet range (1.6 to 6.8 eV), thus enabling photo-induced oxidation and dissociation of oxygen dimers. A full characterization of the material's shape and of its electronic properties at the early stages of the oxidation process is presented as well. This study thus provides fundamental insights into the degradation dynamics of this novel layered material.
Charge Trap Memory Based on Few-Layered Black Phosphorus  [PDF]
Qi Feng,Faguang Yan,Wengang Luo,Kaiyou Wang?
Physics , 2015,
Abstract: Atomically thin layered two-dimensional materials, including transition-metal dichacolgenide (TMDC) and black phosphorus (BP), (1) have been receiving much attention, because of their promising physical properties and potential applications in flexible and transparent electronic devices . Here, for the first time we show non-volatile chargetrap memory devices, based on field-effect transistors with large hysteresis, consisting of a few-layer black phosphorus channel and a three dimensional (3D) Al2O3 /HfO2 /Al2O3 charge-trap gate stack. An unprecedented memory window exceeding 12 V is observed, due to the extraordinary trapping ability of HfO2. The device shows a high endurance and a stable retention of ?25% charge loss after 10 years, even drastically lower than reported MoS2 flash memory. The high program/erase current ratio, large memory window, stable retention and high on/off current ratio, provide a promising route towards the flexible and transparent memory devices utilising atomically thin two-dimensional materials. The combination of 2D materials with traditional high-k charge-trap gate stacks opens up an exciting field of nonvolatile memory devices.
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