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Using the first-principles GW-Bethe-Salpeter equation method, here we study the excited-state properties, including quasi-particle band structures and optical spectra, of phosphorene, a two-dimensional (2D) atomic layer of black phosphorus.…

Materials Science · Physics 2015-07-28 Vellayappan Dheivanayagam S/O Ganesan , Chun Zhang , Yuan Ping Feng , Lei Shen

A fundamental building block for nanophotonics is the ability to achieve negative refraction of polaritons, because this could enable the demonstration of many unique nanoscale applications such as deep-subwavelength imaging, superlens, and…

Thermally stable polymers have attracted a lot of interest due to their potential use as the active component in electronic, optical and optoelectronic applications, such as light-emitting diodes, light emitting electrochemical cells,…

Other Condensed Matter · Physics 2007-05-23 O. S. Prelipceanu , M. Prelipceanu , O. G. Tudose , B. Grimm , S. Schrader

This work demonstrates the unique approach of introducing divacancy imperfections in topological Stone-Wales type defected graphene quantum dots for harvesting both singlet and triplet excitons, essential for fabricating fluorescent organic…

Mesoscale and Nanoscale Physics · Physics 2022-08-09 Tushima Basak , Tista Basak , Alok Shukla

Graphene/hBN heterostructures can be considered as one of the basic building blocks for the next-generation optoelectronics mostly owing to the record-high electron mobilities. However, currently, the studies of the intrinsic optical…

Density functional theory (DFT) and many body perturbation theory at the G$_0$W$_0$ level are employed to study the electronic properties of polythiophene (PT) adsorbed on graphene surface. Analysis of charge density difference shows the…

Mesoscale and Nanoscale Physics · Physics 2017-09-07 F. Marsusi , I. A. Fedorov , S. Gerivani

Monolayer structures made up of purely one kind of atoms are fascinating. Many kinds of honeycomb systems including carbon, silicon, germanium, tin, phosphorus and arsenic have been shown to be stable. However, so far the structures are…

Mesoscale and Nanoscale Physics · Physics 2015-08-25 C. Kamal , Aparna Chakrabarti , Motohiko Ezawa

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

The theoretical discovery of new and stable 2D penta materials has stimulated the technological advancement due to the anticipated exotic properties of such structure, including the recent $\alpha$ phase and $\beta$ phase of penta-NiPS…

Antiperovskites are a rich family of compounds with applications in battery cathodes, superconductors, solid-state lighting, and catalysis. Recently, a novel series of antimonide phosphide antiperovskites (A$_3$SbP, where A = Ca, Sr, Ba)…

Materials Science · Physics 2023-12-05 Ruiqi Wu , Alex M. Ganose

Owing to its array of unique properties, graphene is a promising material for a wide variety of applications. Being two-dimensional, the properties of graphene are also easily tuned via proximity to other materials. In this work, we…

Mesoscale and Nanoscale Physics · Physics 2021-11-09 Aleandro Antidormi , Aron W. Cummings

In this express, we demonstrate few-layer orthorhombic arsenene is an ideal semiconductor. Due to the layer stacking, multilayer arsenenes always behave as intrinsic direct bandgap semiconductors with gap values of around 1 eV. In addition,…

Computational Physics · Physics 2015-06-23 Z. Y. Zhang , Jiafeng Xie , D. Z. Yang , Y. H. Wang , M. S. Si , D. S. Xue

The family of group IV-VI monochalcogenides has an atomically puckered layered structure, and their atomic bond configuration suggests the possibility for the realization of various polymorphs. Here, we report the synthesis of the first…

We report that two rotated layers of blue phosphorene behave as a direct band gap semiconductor. The optical spectrum shows absorption peaks in the visible region of the spectrum and in addition the energy of these peaks can be tuned with…

Mesoscale and Nanoscale Physics · Physics 2016-08-01 D. A. Ospina , C. A. Duque , J. D. Correa , Eric Suárez Morell

Inspired by the unique properties of graphene, the focus in the literature is now on investigations of various two-dimensional (2D) materials with the aim to explore their properties for future applications. The group IV analogues of…

Materials Science · Physics 2020-03-24 J. Shah , H. M. Sohail , R. I. G. Uhrberg , W. Wang

We give the results of density functional calculations for graphene with a widely varying fluorine adsorptions. We give a systematic analysis of the adsorption energies, lattice constants, bulk modulus, bandgap openings, and magnetic…

Materials Science · Physics 2014-11-13 Chad E. Junkermeier , Stefan C. Badescu , Thomas L. Reinecke

In this work we probe the third-order non-linear optical property of graphene, hexagonal boron nitride and their heterostructure by the use of coherent anti-Stokes Raman Spectroscopy. When the energy difference of the two input fields match…

Artificial semiconductor heterostructures played a pivotal role in modern electronic and photonic technologies, providing a highly effective mean for the manipulation and control of carriers, from the visible to the far-infrared. Despite…

Mesoscale and Nanoscale Physics · Physics 2018-05-01 Leonardo Viti , Miriam S. Vitiello

Two-dimension (2D) semiconductor materials have attracted much attention and research interest for their novel properties suitable for electronic and optoelectronic applications. In this paper, we have proposed an idea in new 2D materials…

Materials Science · Physics 2017-04-13 Qingxing Xie , Junhui Yuan , Niannian Yu , Lisheng Wang , Jiafu Wang

Ultrathin polymer-graphene heterostructures are promising materials for next generation optoelectronic and photovoltaic technologies, while the influence of the polymer's structural variation on interfacial charge transfer remains unclear.…

Materials Science · Physics 2025-12-25 Yosra Mater , Salih Demirci , V. Ongun Özçelik