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The crystal structure and phonon dynamics of pentacene is computed with the Quasi Harmonic Lattice Dynamics (QHLD) method, based on atom-atom potential. We show that two crystalline phases of pentacene exist, rather similar in thermodynamic…

Point defects exist widely in engineering materials and are known to scatter vibrational modes to reduce thermal conductivity. The Klemens description of point defect scattering is the most prolific analytical model for this effect. This…

Materials Science · Physics 2020-03-11 Ramya Gurunathan , Riley Hanus , Maxwell Dylla , Ankita Katre , G. Jeffrey Snyder

The features of phonon spectra and their effect on the vibrational heat capacity of linear chains of inert gas atoms adsorbed onto a substrate, which is the surface of nanotubes bound to a nanobundle. The influence of the substrate results…

Mesoscale and Nanoscale Physics · Physics 2025-06-26 E. V. Manzhelii , S. B. Feodosyev , I. A. Gospodarev

The theory of linear and non-linear infrared response of vibrational Holstein polarons in one-dimensional lattices is presented in order to identify the spectral signatures of self-trapping phenomena. Using a canonical transformation the…

Chemical Physics · Physics 2023-09-29 Cyril Falvo

We have studied the interplay of a local phonon mode embedded in a metallic host (Holstein impurity model) using Abelian bosonization. The phonon frequency softens, which takes place in two steps: first, their frequency starts softening,…

Strongly Correlated Electrons · Physics 2009-11-11 Balázs Dóra

The temperature dependence below $T_{c}$ of the lineshape of optical phonons of different symmetry as seen in Raman scattering is investigated for superconductors with anisotropic energy gaps. It is shown that the symmetry of the…

Condensed Matter · Physics 2009-10-22 T. P. Devereaux

Lattice vibrations within crystalline solids, or phonons, provide information on a variety of important material characteristics, from thermal qualities to optical properties and phase transition behaviour. When the material contains light…

Computational Physics · Physics 2025-06-27 Taylor Baird , Rodolphe Vuilleumier , Sara Bonella

Scattering of normally incident longitudinal and transverse acoustic waves by a randomly rough surface of an elastically isotropic solid is analyzed within the small perturbation approach. In the limiting case of a large correlation length…

Other Condensed Matter · Physics 2015-05-04 A. A. Maznev

The variational stochastic self-consistent harmonic approximation is combined with the calculation of third-order anharmonic coefficients within density-functional perturbation theory and the "$2n+1$" theorem to calculate anharmonic…

Materials Science · Physics 2015-06-16 Lorenzo Paulatto , Ion Errea , Matteo Calandra , Francesco Mauri

The control of phonon scattering by interfaces is critical to the manipulation of heat conduction in composite materials and semiconducting nanostructures. However, one of the factors limiting our understanding of elastic phonon scattering…

Mesoscale and Nanoscale Physics · Physics 2018-11-08 Zhun-Yong Ong

We devise a theory of adsorption of low-energy atoms on suspended graphene membranes maintained at 10 K based on a model of atom-acoustic phonon interactions. Our primary technique includes a non-perturbative method which treats the…

Mesoscale and Nanoscale Physics · Physics 2020-01-06 Sanghita Sengupta

In spite of their importance for understanding phonon transport phenomena in thin films and polycrystalline solids, the effects of boundary roughness scattering on phonon specularity and coherence are poorly understood because there is no…

Mesoscale and Nanoscale Physics · Physics 2020-05-08 Zhun-Yong Ong , Georg Schusteritsch , Chris J. Pickard

Phonon nonlinearities play an important role in hybrid quantum networks and on-chip quantum devices. We investigate the phonon statistics of a mechanical oscillator in hybrid systems composed of an atom and one or two standard…

Quantum Physics · Physics 2018-06-12 Mei Wang , Xin-You Lü , Adam Miranowicz , Tai-Shuang Yin , Ying Wu , Franco Nori

Differences in the confinement of electrons and holes in quantum dots are shown to profoundly impact the magnitude of scattering with acoustic phonons in materials where crystal deformation shifts the conduction and valence band in the same…

Mesoscale and Nanoscale Physics · Physics 2013-04-03 A. Nysteen , P. Kaer , J. Mork

Single-crystal diffuse scattering data have been collected at room temperature on synthetic titanite using both neutrons and high-energy X-rays. A simple ball-and-springs model reproduces the observed diffuse scattering well, confirming its…

Materials Science · Physics 2013-07-12 M. J. Gutmann , K. Refson , M. v. Zimmermann , I. P. Swainson , A. Dabkowski , H. Dabkowska

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…

Materials Science · Physics 2014-06-24 Lorenzo Paulatto , Francesco Mauri , Michele Lazzeri

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…

Statistical Mechanics · Physics 2009-11-07 Ali Najafi , Ramin Golestanian

The thermal conductance by phonons of a quasi-one-dimensional solid with isotope or defect scattering is studied using the Landauer formalism for thermal transport. The conductance shows a crossover from localized to Ohmic behavior, just as…

Disordered Systems and Neural Networks · Physics 2009-11-13 P. G. Murphy , J. E. Moore

In a hybrid micromaser system consisting of an optical cavity with a moving mirror connected to a low temperature thermal bath, we demonstrate, both analytically and numerically, that for certain interaction times between a random atomic…

Quantum Physics · Physics 2023-03-24 Hugo Molinares , Vitalie Eremeev , Miguel Orszag

The coherence properties of mechanical resonators are often limited by multiple unavoidable forms of loss -- including phonon-phonon and phonon-defect scattering -- which result in the scattering of sound into other resonant modes and into…

Quantum Physics · Physics 2016-12-30 Xunnong Xu , Seunghwi Kim , Gaurav Bahl , Jacob M. Taylor