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Reverse non-equilibrium molecular dynamics (RNEMD) simulations were used to study heat transport in solvated gold interfaces which have been functionalized with a low molecular weight thiolated polyethylene glycol (PEG). The gold interfaces…

Chemical Physics · Physics 2023-12-12 Sydney A. Shavalier , J. Daniel Gezelter

To achieve high device performance and high reliability for the gallium nitride (GaN)-based high electron mobility transistors (HEMTs), efficient heat dissipation is important but remains challenging. Enormous efforts have been made to…

While piezoelectric transduction enables designing acoustic resonators operating at multi-GHz frequencies, the deposition of piezoelectric materials typically requires high temperature processes and specific crystallographic orientation of…

Applied Physics · Physics 2019-12-24 Pallabi Das , Siddharth Tallur

Strain engineering is a very effective method to tune electronic, optical, topological and thermoelectric properties of materials. In this work, we systematically study biaxial strain dependence of electronic structures and thermoelectric…

Materials Science · Physics 2016-07-19 San-Dong Guo , Lun Zhang

The sensitive dependence of electronic and thermoelectric properties of MoS$_2$ on the applied strain opens up a variety of applications in the emerging area of straintronics. Using first principles based density functional theory…

Materials Science · Physics 2015-06-22 Swastibrata Bhattacharyya , Tribhuwan Pandey , Abhishek K. Singh

For applying tensile or compressive uniaxial strain to functional thin films, we propose a novel approach in combining a piezoelectric-based device and a technical metallic substrate used widely in the 2nd generation coated conductors (i.e.…

Electrical properties of contact to p-type nitride semiconductor devices, based on gallium nitride were simulated by ab initio and by drift-diffusion calculations. The contact electric properties are shown to be dominated by electron…

Materials Science · Physics 2025-09-16 Konrad Sakowski , Paweł Strak , Stanislaw Krukowski

Raman thermometry is advantageous for measuring the thermal transport of low-dimensional materials due to its non-contact nature. Transient Raman methods have improved the accuracy of steady-state Raman thermometry by removing the need for…

Applied Physics · Physics 2024-07-02 Taocheng Yu , Yilu Fu , Chenguang Fu , Tiejun Zhu , Wee-Liat Ong

We report on a systematic study of the stress transferred from an electromechanical piezo-stack into GaAs wafers under a wide variety of experimental conditions. We show that the strains in the semiconductor lattice, which were monitored in…

Materials Science · Physics 2015-06-17 D. Butkovicova , X. Marti , V. Saidl , E. Schmoranzerova-Rozkotova , P. Wadley , V. Holy , P. Nemec

Biaxial strain effects on electronic structures and thermoelectric properties of monolayer $\mathrm{PtTe_2}$ are investigated by using generalized gradient approximation (GGA) plus spin-orbit coupling (SOC) for the electron part and GGA for…

Materials Science · Physics 2017-04-26 San-Dong Guo

Mixed valence rare-earth samarium compounds SmX (X=Se,Te) have been recently proposed as candidate materials for use in high-speed, low-power digital switches driven by stress induced changes of resistivity. At room temperature these…

Mesoscale and Nanoscale Physics · Physics 2015-06-23 Marcelo A. Kuroda , Zhengping Jiang , Michael Povolotskyi , Gerhard Klimeck , Dennis M. Newns , Glenn J. Martyna

Despite showing great promise for optoelectronics, the commercialization of halide perovskite nanostructure-based devices is hampered by inefficient electrical excitation and strong exciton binding energies. While transport of excitons in…

Mesoscale and Nanoscale Physics · Physics 2020-10-29 Andreas Singldinger , Moritz Gramlich , Christoph Gruber , Carola Lampe , Alexander S. Urban

Nonlinear optical absorption of light by materials are weak due to its perturbative nature, although a strong nonlinear response is of crucial importance to applications in optical limiting and switching. Here we demonstrate experimentally…

We design a hybrid graphene/hexagonal boron nitride superlattice monolayer and investigate its thermoelectric properties using density functional theory and Boltzmann transport equations with the relaxation time accurately treated by…

Materials Science · Physics 2019-05-31 Zizhen Zhou , Huijun Liu , Dengdong Fan , Guohua Cao

We investigate the near-field heat transfer between a semi-infinite medium and a nanoparticle made of composite materials. We show that, in the effective medium approximation, the heat transfer can be greatly enhanced by considering…

Mesoscale and Nanoscale Physics · Physics 2015-05-12 W. J. M. Kort-Kamp , P. I. Caneda , F. S. S. Rosa , F. A. Pinheiro

Being able to combine different materials allows taking advantage of different properties and device engineering that cannot be found or exploited within a single material system. In quantum nano-photonics, one might want to increase the…

Two-dimensional polyaniline monolayer (C3N) has been recently synthesized as an indirect semiconductor with high electron mobility. In this research, with combination of density functional theory and Green function formalism, we investigate…

Mesoscale and Nanoscale Physics · Physics 2019-02-06 Sahar Izadi Vishkayi , Meysam Bagheri Tagani

Bulk single-crystal relaxor-ferroelectrics, like Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT), are widely known for their large piezoelectricity. This is attributed to polarization rotation which is facilitated by the presence of various crystal…

Although physisorption is a widely occurring mechanism of bonding at the organic/metal interface, contradictory interpretations of this phenomenon are often reported. Photoemission and X-ray absorption spectroscopy investigations of…

In this study, by means of classical molecular dynamics simulations, we investigated the thermal transport properties of hexagonal single-layer, zinc-blend and wurtzite phases of BN, AlN, and GaN crystals, which are very promising for the…

Mesoscale and Nanoscale Physics · Physics 2020-04-13 Yenal Karaaslan , Haluk Yapicioglu , Cem Sevik
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