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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…

Mesoscale and Nanoscale Physics · Physics 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…

Mesoscale and Nanoscale Physics · Physics 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…

Strongly Correlated Electrons · Physics 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…

Mesoscale and Nanoscale Physics · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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…

Mesoscale and Nanoscale Physics · Physics 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…

Mesoscale and Nanoscale Physics · Physics 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…

Mesoscale and Nanoscale Physics · Physics 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…

Materials Science · Physics 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…

Strongly Correlated Electrons · Physics 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…

Materials Science · Physics 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…

Superconductivity · Physics 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…

Materials Science · Physics 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…

Materials Science · Physics 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),…

Mesoscale and Nanoscale Physics · Physics 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…

Materials Science · Physics 2015-12-11 Dipanshu Bansal , Chen W. Li , Ayman H. Said , Douglas L. Abernathy , Jiaqiang Yan , Olivier Delaire

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…

Strongly Correlated Electrons · Physics 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…

Superconductivity · Physics 2024-05-07 Oliver A. Dicks , Kateryna Foyevtsova , Ilya Elfimov , Rohit Prasankumar , George Sawatzky

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…

Mesoscale and Nanoscale Physics · Physics 2022-07-05 Mohammad Alidoosti , Davoud Nasr Esfahani , Reza Asgari