Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals

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We present a numerical implementation, based on Wannier interpolation, of a Kubo-Greenwood formalism for computing the spatially dispersive optical conductivity in crystals at first order in the wave vector of light. This approach is more efficient than di ...

All physical processes can be described, at a fundamental level, through interactions of elementary particles. The Standard Model of particle physics (SM) describes three of the four known fundamental forces and all of the known elementary particles. The a ...

The CO2/CO electroreduction reaction (CO2RR/CORR) to liquid products presents an enticing pathway to store intermittent renewable electricity. However, the selectivity for desirable high-value C3 products, such as n-propanol, remains unsatisfactory in the ...

Neural networks have shown to be a powerful tool to represent the ground state of quantum many-body systems, including fermionic systems. However, efficiently integrating lattice symmetries into neural representations remains a significant challenge. In th ...

Building on recent advances of the embedded cluster approach combined with multiconfigurational theory, this work investigates the electronic states in thorium-doped CaF2 crystals. Th:CaF2 is established as a promising material for solid-state nuclear cloc ...

Antennas have historically been the most common electromagnetic (EM) technology for wireless communication systems. Antenna as hardware is entirely dependent on the EM properties of the materials used, mostly related to the permittivity and permeability. I ...

Flexoelectricity is a property of all dielectric materials, where inhomogeneous strain induces electrical polarization. This effect becomes particularly prominent at the nanoscale where larger strain gradients can be obtained. While flexoelectric charges h ...

This data set contains the data collected during the FNS project Green Piezo (Grant no. 179064) in association with the recent publication entitled “Low-temperature processing of screen-printed piezoelectric KNbO3 with integration onto biodegradable paper ...

Recent advancements in miniature devices with higher computational capabilities and ultralow power consumption have accelerated the development of wearable sensors, actuators, and energy harvesters everywhere. The ultimate aim of such a technological revol ...

Composite films based on dispersions of bismuth ferrite (BiFeO3) in polyvinylidene fluoride (PVDF) matrixes were prepared in the presence of multiwalled-carbon-nanotubes (MWCNT), using xanthan gum (XG) as dispersant. Films were prepared by spin coating and ...

The speed of change in the modern world is impressive. Within the last 50 years, many devices and technologies have significantly transformed their appearance, intrinsic characteristics and improved their performance. Computers have changed from the size o ...

Dielectric elastomers (DEs) are key materials in actuators, sensors, energy harvesters, and stretchable electronics. These devices find applications in important emerging fields such as personalized medicine, renewable energy, and soft robotics. However, e ...

Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these measurements freq ...

Elastomer composites are prepared by infiltrating polydimethylsiloxane (PDMS) into a porous ceramic structure of nanoparticles. This method differs from the conventional approach, where particles are dispersed into the polymer matrix, since here, the polym ...

Nitrile-butadiene rubbers (NBR) have been extensively used as dielectric materials due to their commercial availability, excellent mechanical properties, glass transition temperature below 0 degrees C, and increased dielectric permittivity owing to the pre ...

Oxides containing metals or metalloids from the p block of the periodic table (e.g., In, Sn, Sb, Pb, and Bi) are of technological interest as transparent conductors and light absorbers for solar-energy conversion due to the tunability of their electronic c ...

Polymer-based nanocomposites emerged in the 1960s as a groundbreaking approach to advanced materials. By incorporating robust, durable, and multifunctional nanomaterials into a polymer matrix, the performance of nanocomposites has significantly surpassed t ...

We report thorough measurements of surface plasmon polaritons (SPPs) running along nearly perfect air-gold interfaces formed by atomically flat surfaces of chemically synthesized gold monocrystals. By means of amplitude-and phase-resolved near-field micros ...

We develop a computationally efficient scheme to accurately determine finite-temperature band gaps for metal halide perovskites belonging to the class ABX(3) (A = Rb, Cs; B = Ge, Sn, Pb; and X = F, Cl, Br, I). First, an initial estimate of the band gap is ...

In this work, we experimentally explore and compare FET gate stacks with and without an inner metal plane between a linear dielectric (SiO2) and a ferroelectric layer (Si-doped HfO2) operating in the negative capacitance (NC) regime. The use of nanosecond- ...

Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals

Chattez avec Graph Search

Optical Spatial Dispersion Via Wannier Interpolation

Measurement of the photon polarisation in B+ -> K+ pi- pi+ gamma decays at LHCb

Cooperative promotion of electroreduction of CO to n-propanol by *CO enrichment and proton regulation

Spectroscopy of two-dimensional interacting lattice electrons using symmetry-aware neural backflow transformations

Embedded cluster approach for accurate electronic structure calculations of 229Th:CaF2

Toward Metantennas: Metamaterial-Based Antennas for Wireless Communications

Measuring direct flexoelectricity at the nanoscale

Dataset for "Low-temperature processing of screen-printed piezoelectric KNbO3 with integration onto biodegradable paper substrates"

Tailor-made Piezoelectric Elastomer Materials

Stress effects on the impedance and ferroelectricity of PVDF-BiFeO3-MWCNT films using xanthan gum as dispersant

High Permittivity Siloxanes as Promising Materials for Dielectric Elastomer Transducers: From Synthesis to Application

Transient Elastomers with High Dielectric Permittivity for Actuators, Sensors, and Beyond

Automated all-functionals infrared and Raman spectra

Dielectric properties of 3-3 flexible composites by infiltration of elastomers into porous ceramic structures using cellulose scaffold

Slot-Die Coating of an On-the-Shelf Polymer with Increased Dielectric Permittivity for Stack Actuators

Ternary Oxides of s - and p -Block Metals for Photocatalytic Solar-to-Hydrogen Conversion

Highly dispersed nanomaterials in polymer matrix via aerosol-jet-based multi-material 3D printing

Ultimate Limit for Optical Losses in Gold, Revealed by Quantitative Near-Field Microscopy

Accurate and efficient band-gap predictions for metal halide perovskites at finite temperature

Negative Capacitance in HfO2 Gate Stack Structures With and Without Metal Interlayer