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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…

化学物理 · 物理学 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…

应用物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

应用物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

介观与纳米尺度物理 · 物理学 2020-04-13 Yenal Karaaslan , Haluk Yapicioglu , Cem Sevik
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