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There is still a gap in understanding phonons scattering by geometrical defects at the nanoscale, and it remains a significant challenge for heat transfer management in nanoscale devices and systems. In this study, we aim to explore the…

Mesoscale and Nanoscale Physics · Physics 2024-03-19 Mykola Isaiev , Nataliia Kyrychenko , Vasyl Kuryliuk , David Lacroix

We address the two-dimensional band-structure of graphene above the vacuum level in the context of discrete states immersed in the three-dimensional continuum. Scattering resonances are discovered that originate from the coupling of the…

Mesoscale and Nanoscale Physics · Physics 2013-01-31 V. U. Nazarov , V. M. Silkin , E. E. Krasovskii

Since the first graphene layer was fabricated in the early 2000's, graphene properties have been studied extensively both experimentally and theoretically. However, when comparing the many resistivity models reported in literature, several…

Taking into account the constraints imposed by the lattice symmetry, we calculate the phonon dispersion for graphene with interactions between the first, second, and third nearest neighbors in the framework of the Born--von Karman model.…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 L. A. Falkovsky

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

Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer structures we developed a beam matching technique, which is…

Mesoscale and Nanoscale Physics · Physics 2015-12-08 Debanjan Basu , Peter Blöchl

This paper presents a numerical compression strategy for the boundary integral equation of acoustic scattering in two dimensions. These equations have oscillatory kernels that we represent in a basis of wave atoms, and compress by…

Numerical Analysis · Mathematics 2008-05-28 Laurent Demanet , Lexing Ying

We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially)…

In this paper we propose and analyse a hybrid numerical-asymptotic boundary element method for the solution of problems of high frequency acoustic scattering by a class of sound-soft nonconvex polygons. The approximation space is enriched…

Numerical Analysis · Mathematics 2014-01-14 David P. Hewett , Simon N. Chandler-Wilde , Stephen Langdon , Ashley Twigger

The reduced phonon specularity $p$ from boundary roughness scattering plays a major role in the lower thermal conductivity in semiconducting and insulating nanowires and films. Although the well-known Ziman formula…

Mesoscale and Nanoscale Physics · Physics 2024-05-27 Zhun-Yong Ong

We review calculations and measurements of the phonon-dispersion relation of graphite. First-principles calculations using density-functional theory are generally in good agreement with the experimental data since the long-range character…

Materials Science · Physics 2013-08-07 Ludger Wirtz , Angel Rubio

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

We present a quantitative study of coherent array imaging of remote sources in randomly perturbed waveguides with bounded cross-section. We study how long range cumulative scattering by perturbations of the boundary and the medium impedes…

Numerical Analysis · Mathematics 2013-06-10 Liliana Borcea , Josselin Garnier , Chrysoula Tsogka

We propose and analyse a hybrid numerical-asymptotic $hp$ boundary element method for time-harmonic scattering of an incident plane wave by an arbitrary collinear array of sound-soft two-dimensional screens. Our method uses an approximation…

Numerical Analysis · Mathematics 2014-08-12 David P. Hewett , Stephen Langdon , Simon N. Chandler-Wilde

Mode space approach has been used so far in NEGF to treat phonon scattering for computational efficiency. Here we perform a more rigorous quantum transport simulation in real space to consider interband scatterings as well. We show a…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Youngki Yoon , Dmitri E. Nikonov , Sayeef Salahuddin

Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) based studies have revealed many unique phonon transport…

Materials Science · Physics 2019-08-14 Xiaokun Gu , Zheyong Fan , Hua Bao , C. Y. Zhao

Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation of temperature and thermal nonequilibrium of different phonon…

Mesoscale and Nanoscale Physics · Physics 2017-05-17 Tianli Feng , Wenjun Yao , Zuyuan Wang , Jingjing Shi , Chuang Li , Bingyang Cao , Xiulin Ruan

We present the full in-plane phonon dispersion of graphite obtained from inelastic x-ray scattering, including the optical and acoustic branches, as well as the mid-frequency range between the $K$ and $M$ points in the Brillouin zone, where…

Materials Science · Physics 2009-11-13 M. Mohr , J. Maultzsch , E. Dobardzic , S. Reich , I. Milosevic , M. Damnjanovic , A. Bosak , M. Krisch , C. Thomsen

The transport properties of carriers in semiconducting graphene nanoribbons are studied by comparing the effects of phonon, impurity, and line-edge roughness scattering. It is found that scattering from impurities located at the surface of…

Materials Science · Physics 2009-11-13 Tian Fang , Aniruddha Konar , Huili Xing , Debdeep Jena

We develop a multidimensional coupled channel method suitable for studying the interplay of bound state resonance and phonon assisted scattering of inert gas atoms from solid surfaces in one, two and three dimensions. This enables us to get…

Statistical Mechanics · Physics 2009-11-11 A. Siber , B. Gumhalter