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An accurate and easily extendable method to deal with lattice dynamics of solids is offered. It is based on first-principles molecular dynamics simulations and provides a consistent way to extract the best possible harmonic - or higher…

材料科学 · 物理学 2013-10-14 Olle Hellman , I. A. Abrikosov , S. I. Simak

The thermal properties of anisotropic crystals are of both fundamental and practical interest, but transport phenomena in anisotropic materials such as graphite remain poorly understood because solutions of the Boltzmann equation often…

介观与纳米尺度物理 · 物理学 2015-06-22 A. J. Minnich

A complete methodology, based on a two-scale asymptotic approach, that enables the homogenisation of elastic lattices at non-zero frequencies is developed. Elastic lattices are distinguished from scalar lattices in that two or more types of…

经典物理 · 物理学 2014-07-09 D. J. Colquitt , R. V. Craster , M. Makwana

Dynamics of an array of line defects interacting with a background elastic medium is studied in the linear regime. It is shown that the inertial coupling between the defects and the ambient phonons leads to an anomalous response behavior…

统计力学 · 物理学 2009-11-07 Ali Najafi , Ramin Golestanian

Metamaterials based on mechanical elements have been developed over the past decade as a powerful platform for exploring analogs of electron transport in exotic regimes that are hard to produce in real materials. In addition to enabling new…

We have implemented a generic method, based on the 2n+1 theorem within density functional perturbation theory, to calculate the anharmonic scattering coefficients among three phonons with arbitrary wavevectors. The method is used to study…

材料科学 · 物理学 2014-06-24 Lorenzo Paulatto , Francesco Mauri , Michele Lazzeri

Wavepacket transport across a nonlinear region is studied numerically at zero and finite temperatures. In contrary to the zero temperature case which demonstrates ballistic transport, finite temperature lattice vibrations suppresses the…

介观与纳米尺度物理 · 物理学 2019-02-14 Sima Pouyandeh , Hadi Zahir Olyaei

The probing of coherent lattice vibrations in solids has been conventionally carried out using time-resolved transient spectroscopy where only the relative oscillation amplitude can be obtained. Using time-resolved X-ray techniques,…

介观与纳米尺度物理 · 物理学 2024-03-25 Jicai Zhang , Ziwen Wang , Frank Lengers , Daniel Wigger , Doris E. Reiter , Tilmann Kuhn , Hans Jakob Wörner , Tran Trung Luu

We report an investigation of the lattice dynamical properties of LiFeAs using inelastic light scattering. Five out of the six expected phonon modes are observed. The temperature evolution of their frequencies and linewidths is in good…

超导电性 · 物理学 2012-01-13 Y. J. Um , J. T. Park , B. H. Min , Y. J. Song , Y. S. Kwon , B. Keimer , M. Le Tacon

The out-of-plane fluctuations of carbon atoms in a graphene sheet have been studied by means of classical molecular dynamic simulations with an empirical force-field as a function of temperature. The Fourier analysis of the out-of-plane…

材料科学 · 物理学 2016-06-27 R. Ramirez , E. Chacon , C. P. Herrero

Including the effect of lattice anharmonicity on electron-phonon interactions has recently garnered attention due to its role as a necessary and significant component in explaining various phenomena, including superconductivity, optical…

Parametric simultaneous solitary wave (simulton) excitations are shown possible in nonlinear lattices. Taking a one-dimensional diatomic lattice with a cubic potential as an example we consider the nonlinear coupling between the upper…

凝聚态物理 · 物理学 2007-05-23 Bambi Hu , Guoxiang Huang

To date, two types of coupling between electromagnetic radiation and a crystal lattice have been identified experimentally. One is direct, for infrared (IR)-active vibrations that carry an electric dipole. The second is indirect, it occurs…

In this letter, we experimentally investigate the directional characteristics of propagating, finite-amplitude wave packets in lattice materials, with an emphasis on the functionality enhancement due to the nonlinearly-generated higher…

斑图形成与孤子 · 物理学 2017-06-27 R. Ganesh , Stefano Gonella

The exposure to intense electromagnetic radiation can induce distortions and symmetry breaking in the crystal structure of solids, providing a route for the all-optical control of their properties. In this manuscript, we formulate a unified…

材料科学 · 物理学 2023-02-22 Fabio Caruso , Marios Zacharias

Ion diffusion is important in a variety of applications, yet fundamental understanding of the diffusive process in solids is still missing, especially considering the interaction of lattice vibrations (phonons) and the mobile species. In…

材料科学 · 物理学 2020-12-02 Kiarash Gordiz , Sokseiha Muy , Wolfgang G. Zeier , Yang Shao-Horn , Asegun Henry

Femtosecond optical pulses at mid-infrared frequencies have opened up the nonlinear control of lattice vibrations in solids. So far, all applications have relied on second order phonon nonlinearities, which are dominant at field strengths…

We investigate the excitation of phonons in photoexcited antimony and demonstrate that the entire electron-lattice interactions, in particular coherent and incoherent electron-phonon coupling, can be probed simultaneously. Using femtosecond…

Nonlinear localized excitations in one-dimensional diatomic lattices with cubic and quartic nonlinearity are considered analytically by a quasi-discreteness approach. The criteria for the occurence of asymmetric gap solitons (with vibrating…

材料科学 · 物理学 2009-10-30 Guoxiang Huang , Bambi Hu

Upon impulsive optical excitation of solid-state materials, the non-equilibrium flow of energy from the excited electronic system to the lattice degrees of freedom typically happens in a few picoseconds. Here we identified the surface of…

介观与纳米尺度物理 · 物理学 2024-03-08 C. Brand , V. Tinnemann , A. Hanisch-Blicharski , M. Tajik , J. D. Fortmann , A. Kaßen , F. Thiemann , M. Horn-von Hoegen