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We perform investigation of Hubbard model with interaction between strongly correlated conducting electrons on a lattice with Debye phonons. To solve the problem generalized dynamical mean-field DMFT+\Sigma method is employed with…

强关联电子 · 物理学 2009-10-02 E. Z. Kuchinskii , I. A. Nekrasov , M. V. Sadovskii

We report finite-volume simulations of the phonon Boltzmann transport equation (BTE) for heat conduction across the heterogeneous interfaces in SiGe superlattices. The diffuse mismatch model incorporating phonon dispersion and polarization…

介观与纳米尺度物理 · 物理学 2010-05-17 Dhruv Singh , Jayathi Y. Murthy , Timothy S. Fisher

Hydrodynamic phonon transport phenomena, like second sound, have been observed in liquid Helium more than 50 years ago. More recently second sound has been observed in graphite at over 200 K using transient thermal grating techniques. In…

介观与纳米尺度物理 · 物理学 2024-03-13 Laurenz Kremeyer , Tristan L. Britt , Bradley J. Siwick , Samuel C. Huberman

Understanding phonon transport across heterojunctions is important to achieve a wide range of thermal transport properties. Using the McKelvey-Shockley flux method with first-principles modeling, we theoretically investigate the phonon…

介观与纳米尺度物理 · 物理学 2018-12-18 Jesse Maassen , Vahid Askarpour

Graphene sheets encapsulated between hexagonal Boron Nitride (hBN) slabs display superb electronic properties due to very limited scattering from extrinsic disorder sources such as Coulomb impurities and corrugations. Such samples are…

介观与纳米尺度物理 · 物理学 2014-10-13 Alessandro Principi , Matteo Carrega , Mark Lundeberg , Achim Woessner , Frank H. L. Koppens , Giovanni Vignale , Marco Polini

We study the electron and phonon thermalization in simple metals excited by a laser pulse. The thermalization is investigated numerically by solving the Boltzmann transport equation taking into account all the relevant scattering mechanism:…

材料科学 · 物理学 2018-02-28 Shota Ono

Nonequilibrium dynamics governed by electron-phonon (e-ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitations in materials. The real-time Boltzmann transport…

材料科学 · 物理学 2023-11-14 Ivan Maliyov , Jia Yin , Jia Yao , Chao Yang , Marco Bernardi

We present a conceptually simple method for treating electron-phonon scattering and phonon limited mobilities. By combining Green's function based transport calculations and molecular dynamics (MD), we obtain a temperature dependent…

介观与纳米尺度物理 · 物理学 2017-06-28 Troels Markussen , Mattias Palsgaard , Daniele Stradi , Tue Gunst , Mads Brandbyge , Kurt Stokbro

Classical thermal transport theories that preserve rotational symmetry, predict strong anharmonic scattering of out-of-plane lattice vibrational modes called flexural phonons in flat suspended graphene sheets. Such strong scattering…

材料科学 · 物理学 2026-04-07 Navaneetha K. Ravichandran

First principles-based predictions of lattice thermal conductivity (TC) from perturbation theory have achieved significant success. Usually, it only included three-phonon (3ph) scattering processes, only recently four-phonon (4ph)…

材料科学 · 物理学 2025-03-25 H. F. Feng , B. Liu , Xin-Gao Gong , Zhi-Xin Guo

A density functional theory (DFT) study of the discrete breathers (DBs) in graphane (fully hydrogenated graphene) was performed. To the best of our knowledge, this is the first demonstration of the existence of DBs in a crystalline body…

斑图形成与孤子 · 物理学 2015-06-19 G. M. Chechin , S. V. Dmitriev , I. P. Lobzenko , D. S. Ryabov

Cathode materials undergo various phase transitions during the charge/discharge process, and the structural transitions significantly affect the battery performance. Although phonon properties can provide a direct clue for structural…

材料科学 · 物理学 2022-08-08 Haeyoon Jung , Jiyeon Kim , Sooran Kim

The phonon and electronic properties, the Eliashberg function and the temperature dependence of resistance of electride Ca2N are investigated by the DFT-LDA plane-wave method. The phonon dispersion, the partial phonon density of states and…

材料科学 · 物理学 2019-01-16 B. N. Mavrin , M. E. Perminova , Yu. E. Lozovik

We calculate the inelastic scattering rates and the hot electron inelastic mean free paths for both monolayer and bilayer graphene on a polar substrate. We study the quasiparticle self-energy by taking into account both electron-electron…

介观与纳米尺度物理 · 物理学 2015-01-05 Seongjin Ahn , E. H. Hwang , Hongki Min

Electron-phonon interaction and phonon frequencies of doped polar semiconductors are sensitive to long-range Coulomb forces and can be strongly affected by screening effects of free carriers, the latter changing significantly when…

材料科学 · 物理学 2025-06-10 Francesco Macheda , Thibault Sohier , Paolo Barone , Francesco Mauri

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…

介观与纳米尺度物理 · 物理学 2015-12-08 Debanjan Basu , Peter Blöchl

Transport of electrons at high electric fields is investigated in an intrinsic three-dimensional Dirac semimetal cadmium arsenide, considering the scattering of electrons from acoustic and optical phonons. Screening and hot phonon effect…

材料科学 · 物理学 2020-06-24 S. S. Kubakaddi

Weyl semimetals are 3D phases of matter with topologically protected states that have remarkable macroscopic transport behaviors. As phonon dynamics and electron-phonon scattering play a critical role in the electrical and thermal…

We study the intrinsic scattering of phonons by a general quantum degree of freedom, i.e. a fluctuating "field" $Q$, which may have completely general correlations, restricted only by unitarity and translational invariance. From the induced…

强关联电子 · 物理学 2023-01-04 Léo Mangeolle , Leon Balents , Lucile Savary

The phonon modes at finite temperature in graphene and single-walled carbon nanotubes (SWCNT) are investigated by the mode projection technique combined with molecular dynamics simulation. It is found that the quadratic phonon spectrum of…

材料科学 · 物理学 2011-08-31 Jin-Wu Jiang , Jian-Sheng Wang