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We report here the structural and electronic properties of graphene and silicene (silicon analogue of graphene) investigated using first-principles calculations of their ground state energies employing full-potential (linearized) augmented…

介观与纳米尺度物理 · 物理学 2015-06-03 Harihar Behera , Gautam Mukhopadhyay

Twisted bilayer graphene (TBG) has attracted great interest in the last decade due to the novel properties it exhibited. It was revealed that e-phonon interaction plays an important role in a variety of phenomena in this system, such as…

介观与纳米尺度物理 · 物理学 2024-10-29 Jun-Wei Li , Jia-Xing Zhang , Wei Chen

We examine the interplay between electron correlations and phonons in an Anderson-Holstein impurity model with an Einstein phonon. When the phonons are slow compared to charge fluctuations (frequency $\omega_0 \ll U/2$, the onsite Coulomb…

强关联电子 · 物理学 2025-07-08 Liam L. H. Lau , Andreas Gleis , Daniel Kaplan , Premala Chandra , Piers Coleman

Using the linearized Boltzmann transport equation and perturbation theory, we analyze the reduction in the intrinsic thermal conductivity of few-layer graphene sheets accounting for all possible three-phonon scattering events. Even with…

介观与纳米尺度物理 · 物理学 2015-05-28 Dhruv Singh , Jayathi Y. Murthy , Timothy S. Fisher

Using spectral energy density method, we predict the phonon scattering mean lifetimes of polycrystalline graphene (PC-G) having polycrystallinity only along $\rm{x}$-axis with seven different misorientation (tilt) angles at room…

材料科学 · 物理学 2024-09-10 Kunwar Abhikeern , Amit Singh

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 present thermal measurements of large area (over $1,000$~$\mu$m$^2$) monolayer graphene samples at cryogenic temperatures to study the electron-phonon thermal conductivity of graphene. By using two large samples with areas which differ…

介观与纳米尺度物理 · 物理学 2016-02-10 Christopher B. McKitterick , Michael J. Rooks , Daniel E. Prober

Properties of graphene plasmons are greatly affected by their coupling to phonons. While such coupling has been routinely observed in both near-field and far-field graphene spectroscopy, the interplay between coupling strength and mode…

介观与纳米尺度物理 · 物理学 2026-04-08 Sang Hyun Park , Shengxuan Xia , Sang-Hyun Oh , Phaedon Avouris , Tony Low

We predict that graphene is a unique system where disorder-assisted scattering (supercollisions) dominates electron-lattice cooling over a wide range of temperatures, up to room temperature. This is so because for momentum-conserving…

介观与纳米尺度物理 · 物理学 2012-09-21 Justin C. W. Song , Michael Y. Reizer , Leonid S. Levitov

The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically…

材料科学 · 物理学 2015-04-07 Sridhar Sadasivam , Umesh V. Waghmare , Timothy S. Fisher

We obtained the spectral function of very high quality natural graphite single crystals using angle resolved photoelectron spectroscopy (ARPES). A clear separation of non-bonding and bonding bands and asymmetric lineshape are observed. The…

强关联电子 · 物理学 2009-11-13 C. S. Leem , B. J. Kim , Chul Kim , S. R. Park , T. Ohta , A. Bostwick , E. Rotenberg , H. -D. Kim , M. K. Kim , H. J. Choi , C. Kim

Through First-Principles real-time Density-Matrix (FPDM) dynamics simulations, we investigate spin relaxation due to electron-phonon and electron-impurity scatterings with spin-orbit coupling in two-dimensional Dirac materials - silicene…

材料科学 · 物理学 2021-12-08 Junqing Xu , Hiroyuki Takenaka , Adela Habib , Ravishankar Sundararaman , Yuan Ping

Starting from a continuum-model description, we develop a microscopic weak-coupling theory for superconductivity in twisted double-bilayer graphene. We study both electron-phonon and entirely electronic pairing mechanisms. In each case, the…

超导电性 · 物理学 2020-08-04 Rhine Samajdar , Mathias S. Scheurer

Electron-electron ($e$-$e$) and electron-phonon ($e$-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport, phase transitions, and superconductivity. Here we combine…

材料科学 · 物理学 2024-01-05 David J. Abramovitch , Jin-Jian Zhou , Jernej Mravlje , Antoine Georges , Marco Bernardi

Using the Boltzmann equation for electrons in metals, we show that the optical phonons soften and have a dispersion due to screening in agreement with the results reported recently [M. Reizer, Phys. Rev. B {\bf 61}, 40 (2000)]. Additional…

材料科学 · 物理学 2009-11-07 L. A. Falkovsky

We calculate the density of states (DOS) in graphene for electrons coupled to a phonon in an external magnetic field. We find that coupling to an Einstein mode of frequency $\omega_E$ not only shifts and broadens the Landau levels (LLs),…

介观与纳米尺度物理 · 物理学 2015-05-30 Adam Pound , J. P. Carbotte , E. J. Nicol

Phonon properties of $\mathrm{Mo_3Sb_{7-x}Te_x}$ ($x=0,1.5, 1.7$), a potential high-temperature thermoelectric material, have been studied with inelastic neutron and x-ray scattering, and with first-principles simulations. The substitution…

We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…

强关联电子 · 物理学 2015-12-10 Yusuke Nomura , Ryotaro Arita

Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…

The coupling of electrons and phonons is governed wisely by the symmetry properties of the crystal structures. In particular, for two-dimensional (2D) systems, it has been suggested that the electrons do not couple to phonons with pure…

介观与纳米尺度物理 · 物理学 2022-07-05 Mohammad Alidoosti , Davoud Nasr Esfahani , Reza Asgari