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Related papers: Density Functional Tight-Binding Captures Plasmon-…

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Optical binding allows creation of mechanically stable nanoparticle configurations owing to formation of self-consistent optical trapping potentials. While the classical diffraction limit prevents achieving deeply subwavelength…

Optical tweezers, the three-dimensional confinement of a nanoparticle by a strongly focused beam of light, have been widely employed in investigating biomaterial nanomechanics, nanoscopic fluid properties, and ultrasensitive detections in…

The ab initio computational method known as Hubbard-corrected density functional theory (DFT+$U$) captures well ground electronic structures of a set of solids that are poorly described by standard DFT alone. Since lattice dynamical…

Materials Science · Physics 2025-06-17 Wooil Yang , Sabyasachi Tiwari , Feliciano Giustino , Young-Woo Son

A detailed theory-versus-experiment comparison is worked out for H$_2^+$ intense laser dissociation, based on angularly resolved photodissociation spectra recently recorded in H.Figger's group. As opposite to other experimental setups, it…

Quantum Physics · Physics 2009-11-10 Vassili Serov , Arne Keller , Osman Atabek , Nicolas Billy

Interactions between negatively charged aluminosilicate species and positively charged metal cations are critical to many important engineering processes and applications, including sustainable cements and aluminosilicate glasses. In an…

Materials Science · Physics 2023-01-18 Kai Gong , Kengran Yang , Claire E. White

Extending plasmonics into the ultraviolet range imposes the use of aluminum to achieve the best optical performance. However, water corrosion is a major limiting issue for UV aluminum plasmonics, as this phenomenon occurs significantly…

Hyperbolic phonon polariton is important in precisely controlling photons at the nanoscale. It was common practice to calculate the dielectric function of the phonon polariton system with the Drude-Lorenz model. We considered the impact of…

Materials Science · Physics 2024-05-07 Yue Fang , Huanjun Chen , Zhibing Li , Weiliang Wang

Non-invasive optical manipulation of particles has emerged as a powerful and versatile tool for biological study and nanotechnology. In particular, trapping and rotation of cells, cell nuclei and sub-micron particles enables unique…

The linear combination of atomic orbitals (LCAO) is a standard method for studying solids and molecules, it is also known as the tight$-$binding (TB) method. In most of the implementations only the basis set and the coupling constants are…

Materials Science · Physics 2024-01-18 Graziâni Candiotto

The search for miniaturized components for nonlinear optical processes needs a way to overcome the efficiency loss due to the effective size reduction of the active medium. We investigate here a combination of a nanosized nonlinear…

Employing the first-principles computations based on the density functional theory (DFT), we have investigated the structural, mechanical, electronic, bonding, optical and thermodynamics properties of newly discovered bulk superconductors…

Materials Science · Physics 2018-02-01 Md. Atikur Rahman , Md. Zahidur Rahaman , Md. Lokman Ali , Md. Shahjahan Ali

Soft actuators that respond to external stimuli play a fundamental role in microscale robotics, active matter, and bio-inspired systems. Among these actuators, photo-thermal hybrid microgels (HMGs) containing plasmonic nanoparticles enable…

Optics · Physics 2025-07-02 S. -H. Jung , C. Zhang , N. Stauffer , F. Scheffold , L. Isa

Featured with a plethora of electric and magnetic Mie resonances, high index dielectric nanostructures offer a versatile platform to concentrate light-matter interactions at the nanoscale. By integrating unique features of far-field…

The calculations of electronic transport coefficients and optical properties require a very dense interpolation of the electronic band structure in reciprocal space that is computationally expensive and may have issues with band crossing…

The advancement of quantum photonic technologies relies on the ability to precisely control the degrees of freedom of optically active states. Here, we realize real-time, room-temperature tunable strong plasmon-exciton coupling in 2D…

Asymmetric metal-dielectric nanostructures are demonstrated superior optical properties arise from the combination of strong enhancement of their near fields and controllable scattering characteristics which originate from plasmonic and…

We show that the magnetic properties of high-entropy alloys (HEAs) can be captured by \textit{ab initio} calculations within the coherent potential approximation, where the atomic details of the high-entropy mixing are considered as an…

Materials Science · Physics 2025-12-30 Dinesh Bista , Willie B. Beeson , Turbasu Sengupta , Jerome Jackson , Shiv N Khanna , Kai Liu , Gen Yin

Programable spatial light modulators (SLMs) have significantly advanced the configurable optical trapping of particles. Typically, these devices are utilized in the Fourier plane of an optical system, but direct imaging of an amplitude…

The absorption-ablation-excitation mechanism in laser-cluster interactions is investigated by measuring Rayleigh scattering of aerosol clusters along with atomic emission from phase-selective laser-induced breakdown spectroscopy (PS-LIBS).…

Atomic and Molecular Clusters · Physics 2015-06-23 Yihua Ren , Shuiqing Li , Yiyang Zhang , Stephen D. Tse , Marshall B. Long

In this work, we observe plasmon induced hot electron extraction in a heterojunction between indium tin oxide nanocrystals and monolayer molybdenum disulphide. We study the sample with ultrafast differential transmission exciting the sample…

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