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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

Group-V elemental monolayers including phosphorene are emerging as promising 2D materials with semiconducting electronic properties. Here, we present the results of first principles calculations on stability, mechanical and electronic…

Computational Physics · Physics 2015-05-12 Gaoxue Wang , Ravindra Pandey , Shashi P. Karna

We present a symmetry analysis of electronic bandstructure including spin-orbit interaction close to the insulating gap edge in monolayer black phosphorus ('phosphorene'). Expressions for energy dispersion relation and spin-dependent…

Materials Science · Physics 2014-10-03 Pengke Li , Ian Appelbaum

Carbon's versatility allows it to form diverse structures with unique properties, driven by its moderate electronegativity, small ionic radius, and ability to adopt \textit{sp}, \textit{sp\textsuperscript{2}}, and…

We report on the integration of monolayer molybdenum disulphide with silicon nitride microresonators assembled by visco-elastic layer transfer techniques. Evanescent coupling from the resonator mode to the monolayer is confirmed through…

Materials Science · Physics 2015-09-07 Guohua Wei , Teodor K. Stanev , David A. Czaplewski , Il Woong Jung , Nathaniel P. Stern

Two-dimensional (2D) tin(II) monosulfide (SnS) with strong structural anisotropy has been proven to be a phosphorene analogue. However, difficulty in isolating very thin layer of SnS pose challenges in practical utilization. Here, we…

We analyze the occurrence of in-plane anisotropy in the electronic, magnetic, elastic and transport properties of more than one thousand 2D materials from the C2DB database. We identify hundreds of anisotropic materials and classify them…

Materials Science · Physics 2020-09-09 Luca Vannucci , Urko Petralanda , Asbjørn Rasmussen , Thomas Olsen , Kristian S. Thygesen

Atomically thin layered materials are systems with zero limit bulk-to-surface ratio. Their physical properties are determined by two-dimensionality and strongly affected by interfacing with other systems. Therefore, they represent an…

Superconductivity · Physics 2025-01-16 Tomas Samuely , Martin Gmitra , Tristan Cren , Mateo Calandra , Peter Samuely

From monolayers composed of different atoms, we can build structures with spontaneous vertical polarization by conveniently stacking multiple layers. We have studied, using first-principles methods and based on modern polarization theory, a…

Materials Science · Physics 2023-02-24 Emilio A. Cortés , Juan M. Florez , Eric Suárez Morell

In this letter, we show that a new class of two-dimensional phosphorus allotropes can be constructed via assembling the previously proposed ultrathin metastable phosphorus nanotube into planar structures in different stacking orientations.…

Materials Science · Physics 2018-05-02 Zhenqing Li , Chaoyu He , Tao Ouyang , Chunxiao Zhang , Cao Tang , Rudolf A. Romer , Jianxin Zhong

We investigate the anisotropic hybrid plasmon-SO phonon dispersion relations in monolayer and double-layer phosphorene systems located on the polar substrates, such as SiO2, h-BN and Al2O3. We calculate these hybrid modes with using the…

Mesoscale and Nanoscale Physics · Physics 2017-09-06 S. Saberi-Pouya , T. Vazifehshenas , T. Salavati-fard , M. Farmanbar

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…

Materials Science · Physics 2015-06-22 Jie Guan , Zhen Zhu , David Tománek

Hybrid two-dimensional (2D) materials have attracted increasing interest as platforms for tailoring electronic properties through interfacial design. Very recently, a novel hybrid 2D material termed glaphene, which combines monolayers of 2D…

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

Linear sp carbon nanostructures are gathering interest for the physical properties of one-dimensional (1D) systems. At present, the main obstacle to the synthesis and study of these systems is their instability. Here we present a simple…

We study the Hartree ground state of a dipolar condensate of atoms or molecules in an three-dimensional anisotropic geometry and at T=0. We determine the stability of the condensate as a function of the aspect ratios of the trap frequencies…

Other Condensed Matter · Physics 2009-11-13 O. Dutta , P. Meystre

Silica or SiO$_2$, the main constituent of earth's rocks has several 3D complex crystalline and amorphous phases, but it does not have a graphite like layered structure in 3D. Our theoretical analysis and numerical calculations from the…

Mesoscale and Nanoscale Physics · Physics 2014-06-24 V. Ongun Özçelik , S. Cahangirov , S. Ciraci

Pseudo-one dimensional (pseudo-1D) materials are a new-class of materials where atoms are arranged in chain like structures in two-dimensions (2D). Examples include recently discovered black phosphorus, ReS2 and ReSe2 from transition metal…

Recent reports on the fabrication of phosphorene, i.e., mono- or few-layer black phosphorus, have raised exciting prospects of an outstanding two-dimensional (2D) material that exhibits excellent properties for nanodevice applications. Here…

Materials Science · Physics 2014-06-11 Liangzhi Kou , Thomas Frauenheim , Changfeng Chen

Multifunctional polymer composites with anisotropic properties are attracting interests as they fulfil the growing demand of multitasking materials. In this work, anisotropic polymer composites are fabricated by combining the layer-by-layer…