Results 51 to 60 of about 35,127 (280)
On-the-fly ab initio semiclassical evaluation of vibronic spectra at finite temperature
, 2020 To compute and analyze vibrationally resolved electronic spectra at zero temperature, we have recently implemented the on-the-fly ab initio extended thawed Gaussian approximation [A. Patoz et al., J. Phys. Chem. Lett.
Begušić, Tomislav, Vaníček, Jiří
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Terahertz Response of Acoustically-Driven Optical Phonons [PDF]
, 2010 The manipulation of TO-phonon polaritons and the terahertz (THz) light field associated with them by means of an ultra-sound acoustic wave is proposed and illustrated by calculating the TO-phonon-mediated THz response of acoustically-pumped CuCl and TlCl
Ivanov, A. L. +2 more
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Advanced Functional Materials, EarlyView.Thermal transport in Ru and W thin films is studied using steady‐state thermoreflectance, ultrafast pump–probe spectroscopy, infrared‐visible spectroscopy, and computations. Significant Lorenz number deviations reveal strong phonon contributions, reaching 45% in Ru and 62% in W.
Md. Rafiqul Islam +14 more
wiley +1 more source
Equilibrium and Non-Equilibrium Lattice Dynamics of Anharmonic Systems
Entropy, 2022 In this review, motivated by the recent interest in high-temperature materials, we review our recent progress in theories of lattice dynamics in and out of equilibrium.
Keivan Esfarjani, Yuan Liang
doaj +1 more source
Anharmonicity-induced phonon broadening in aluminum at high temperatures [PDF]
, 2010 Thermal phonon broadening in aluminum was studied by theoretical and experimental methods. Using second-order perturbation theory, phonon linewidths from the third-order anharmonicity were calculated from first-principles density-functional theory (DFT)
Fultz, B., Li, Chen W., Tang, Xiaoli
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Local Thermal Conductivity Patterning in Rotating Lattice Crystals of Anisotropic Sb2S3
Advanced Functional Materials, EarlyView.Microscale control of thermal conductivity in Sb2S3 is demonstrated via laser‐induced rotating lattice crystals. Thermal conductivity imaging reveals marked thermal transport anisotropy, with the c axis featuring amorphous‐like transport, whereas in‐plane directions (a, b) exhibit 3.5x and 1.7x larger thermal conductivity.
Eleonora Isotta +13 more
wiley +1 more source
Two-vibron bound states lifetime in a one-dimensional molecular lattice coupled to acoustic phonons
, 2003 The lifetime of two-vibron bound states in the overtone region of a one-dimensional anharmonic molecular lattice is investigated. The anharmonicity, introduced within an attractive Hubbard Hamiltonian for bosons, is responsible for the formation of bound
Pouthier, Vincent J. C.
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Does a Morphotropic Phase Boundary Exist in ZrxHf1‐xO2‐Based Thin Films?
Advanced Functional Materials, EarlyView.This study investigates 6 nm zirconium‐rich hafnium‐zirconium oxide thin–film metal–insulator–metal capacitors using a combination of experimental methods and machine learning–based molecular dynamics simulations to provide insight into the physical mechanisms that enhance the dielectric constant near 0 V and attribute it to the field‐induced ...
Pramoda Vishnumurthy +9 more
wiley +1 more source
Inductively shunted transmon qubit with tunable transverse and longitudinal coupling
, 2017 We present the design of an inductively shunted transmon qubit with flux-tunable coupling to an embedded harmonic mode. This circuit construction offers the possibility to flux-choose between pure transverse and pure longitudinal coupling, that is ...
DiVincenzo, David +4 more
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Temperature dependence of Raman scattering in filled double-walled carbon nanotubes [PDF]
, 2010 Four types of filled double-walled carbon nanotubes (DWNTs) (Se@DWNT; Te@DWNT; HgTe@DWNT; and PbI2@DWNT) have been studied by high-resolution transmission electron microscopy and micro-Raman spectroscopy in the temperature interval from 80 to 700 K ...
Flahaut, Emmanuel +2 more
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