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Molecular adsorption at the surface of a 2D material poses numerous questions regarding the modification to the band structure and interfacial states, which of course deserve full attention. In line with this, first-principle density…

Materials Science · Physics 2020-03-27 Tanmay Das , Sesha Vempati

The optical properties of silicon can be greatly tuned by applying strain and opening new perspectives, particularly in applications where infrared is key. In this work, we use a recent model for the indirect light absorption of silicon and…

A WSe$_2$ monolayer shows many interesting properties due to its spin-orbit coupling induced spin splitting in bands around the Fermi level and the spin-valley configuration. The orientation of the spin polarization in the relevant bands is…

Materials Science · Physics 2022-11-02 Hong Tang , Santosh Neupane , Li Yin , Jason M. Breslin , Adrienn Ruzsinszky

The enhanced nonlinear optical response of a one-dimensional (1D) photonic crystal (PC) made from polymers and graphene composites is observed. The graphene PC was fabricated by spin-coating. It shows obvious bandgaps at two wavelengths in…

Second-order Raman scattering has been extensively studied in carbon-based nanomaterials, \emph{e.g.} nanotube and graphene, because it activates normally forbidden Raman modes that are sensitive to crystal disorder, such as defects,…

Nanofocusing of light offers new technological opportunities for the delivery and manipulation of electromagnetic fields at sub-diffraction limited length scales. Here, we show that hyperbolic phonon polarity,HPP, modes in the mid infrared…

We show that graphene possesses a strong nonlinear optical response in the form of multi-plasmon absorption, with exciting implications in classical and quantum nonlinear optics. Specifically, we predict that graphene nano-ribbons can be…

Mesoscale and Nanoscale Physics · Physics 2015-01-22 Marinko Jablan , Darrick E. Chang

We study the optical response of nanoribbons made from the $\alpha-T_3$ lattice under a weak magnetic field in the terahertz to far-infrared regime. It is found that the magnetic field can open a gap in the band structure and induce a new…

Mesoscale and Nanoscale Physics · Physics 2019-01-10 Yan-Ru Chen , Yong Xu , Jun Wang , Jun-Feng Liu , Zhongshui Ma

We report a study of high-order multi-photon absorption, nonlinear refraction, and their anisotropy in four notable mid-infrared \c{hi}(2) crystals: GaP, ZnSe, GaSe and ZGP using the Z- scan method and 2.35-{\mu}m femtosecond pulses with…

The adsorption mechanism of SO2 in the Hofmann-like coordination polymer Fe(pz)[Pt(CN)4] is studied using inelastic neutron scattering and density functional theory calculations. We find that the most important spectral change upon gas…

The conductance of graphene nanoribbons and nanoconstrictions under the effect of a scanning gate microscopy tip is systematically studied. Using a scattering approach for noninvasive probes, the first- and second-order conductance…

Mesoscale and Nanoscale Physics · Physics 2023-02-20 Xianzhang Chen , Guillaume Weick , Dietmar Weinmann , Rodolfo A. Jalabert

Phosphorene has been rediscovered recently, establishing itself as one of the most promising two dimensional group-V elemental monolayers with direct band gap, high carrier mobility, and anisotropic electronic properties. In this letter,…

Materials Science · Physics 2016-03-24 Gaoxue Wang , G. C. Loh , Ravindra Pandey , Shashi P. Karna

Pd nanoalloys show great potential as hysteresis-free, reliable hydrogen sensors. Here, a multi-scale modeling approach is employed to determine optimal conditions for optical hydrogen sensing using the Pd-Au-H system. Changes in hydrogen…

Complex assemblies of light-emitting polymer nanofibers with molecular materials exhibiting optical gain can lead to important advance to amorphous photonics and to random laser science and devices. In disordered mats of nanofibers,…

We explain the nature of the electronic band gap and optical absorption spectrum of Carbon - Boron Nitride (CBN) hybridized monolayers using density functional theory (DFT), GW and Bethe-Salpeter equation calculations. The CBN…

Materials Science · Physics 2012-06-26 Marco Bernardi , Maurizia Palummo , Jeffrey C. Grossman

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

We studied the ultrafast third-order optical nonlinearity in a single crystal of multiferroic bismuth ferrite (BiFeO3) in the near-infrared range of 0.5-1.0 eV, where the material is fundamentally transparent,at room temperature. With pump…

Strongly Correlated Electrons · Physics 2015-09-02 Eiichi Matsubara , Takeshi Mochizuki , Masaya Nagai , Toshimitsu Ito , Masaaki Ashida

Implicit summation is a technique for the conversion of sums over intermediate states in multiphoton absorption and the high-order susceptibility in hydrogen into simple integrals. Here, we derive the equivalent technique for hydrogenic…

Mesoscale and Nanoscale Physics · Physics 2019-06-03 Nguyen H. Le , Grigory V. Lanskii , G. Aeppli , B. N. Murdin

Two-dimensional transition metal dichalcogenides (TMDCs) have been extensively investigated due to their tunable properties. In this work, density functional theory (DFT) is employed to investigate the adsorption behavior and sensing…

Materials Science · Physics 2026-01-22 Neeraj Thakur , Anjna Bhardwaj , Arun Kumar , Amarjeet Singh

The characteristics of phonons, i.e. linearized normal modes of vibration, provide important insights into many aspects of crystals, e.g. stability and thermodynamics. In this paper, we use the Objective Structures framework to make…

Materials Science · Physics 2013-01-01 Amin Aghaei , Kaushik Dayal , Ryan S. Elliott
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