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We report first principles analysis of electron-phonon coupling in molecular devices under external bias voltage and during current flow. Our theory and computational framework are based carrying out density functional theory within the…

Materials Science · Physics 2009-11-11 N. Sergueev , D. Roubtsov , Hong Guo

We study the electron-phonon coupling strength near the interface of monolayer and bilayer FeSe thin films on SrTiO$_3$, BaTiO$_3$, and oxygen-vacant SrTiO$_3$ substrates, using ab initio methods. The calculated total electron-phonon…

Superconductivity · Physics 2016-05-04 Yan Wang , Andreas Linscheid , Tom Berlijn , Steve Johnston

Coupling between electrons and phonons (lattice vibrations) drives the formation of the electron pairs responsible for conventional superconductivity. The lack of direct evidence for electron-phonon coupling in the electron dynamics of the…

Raman measurements of a Fano-type surface phonon mode associated with Dirac surface states (SS) in Bi2Se3 topological insulator thin films allowed an unambiguous determination of the electron-phonon coupling strength in Dirac SS as a…

Mesoscale and Nanoscale Physics · Physics 2015-10-28 Yuri D. Glinka , Sercan Babakiray , David Lederman

We consider the effect of electron-phonon coupling in semimetals in high magnetic fields, with regard to elastic modes that can lead to a redistribution of carriers between pockets. We show that in a clean three dimensional system, at each…

Materials Science · Physics 2015-05-14 P. B. Littlewood , B. Mihaila , R. C. Albers

Electron-phonon coupling directly determines the stability of cooperative order in solids, including superconductivity, charge and spin density waves. Therefore, the ability to enhance or reduce electron-phonon coupling by optical driving…

Diamond is one of the most studied materials because of its unique combination of remarkable electrical, mechanical, thermal and optical properties. Using a fully self-consistent ab initio theory of coupled electron-phonon transport, we…

Materials Science · Physics 2022-07-19 Chunhua Li , Nakib H Protik , Pablo Ordejón , David Broido

Electron-hole bound pairs, or excitons, are common excitations in semiconductors. They can spontaneously form and ``condense'' into a new insulating ground state -- the so-called excitonic insulator -- when the energy of electron-hole…

Single-photon emitters are fundamental building blocks for quantum information processing, communication and sensing. However, unwanted interactions with bulk phonons in their host environment strongly limit their coherence and…

A model with Holstein-like electron-phonon coupling is studied in the limit of adiabatic phonons. The phonon distribution is anharmonic with two degenerate maxima. This model can be related to fermions in a correlated binary alloy and…

Strongly Correlated Electrons · Physics 2007-05-23 K. Ziegler , D. Schneider

Diamond and cBN are two of the most promising ultra-wide-band-gap (UWBG) semiconductors for applications in high-power high-frequency electronic devices. Yet despite extensive studies on carrier transport in these materials, there are large…

Materials Science · Physics 2021-08-11 Nocona Sanders , Emmanouil Kioupakis

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

Two-dimensional (2D) metals can host gapless plasmonic excitations, which strongly couple to electrons and thus may significantly affect superconductivity in layered materials. To investigate the dynamical interplay of the electron-electron…

Superconductivity · Physics 2024-08-21 Yann in 't Veld , Mikhail I. Katsnelson , Andrew J. Millis , Malte Rösner

We present first-principles calculations on systems consisting of a few layers of graphene and lithium. In particular, we investigate the evolution of the electron-phonon coupling strength with increasing number of layers. We find that, for…

Superconductivity · Physics 2013-10-15 D. M. Guzman , H. M. Alyahyaei , R. A. Jishi

We report a comprehensive THz, infrared and optical study of Nb doped SrTiO3 as well as DC conductivity and Hall effect measurements. Our THz spectra at 7K show the presence of a very narrow (<2 meV) Drude peak, the spectral weight of which…

Strongly Correlated Electrons · Physics 2009-11-13 J. L. M. van Mechelen , D. van der Marel , C. Grimaldi , A. B. Kuzmenko , N. P. Armitage , N. Reyren , H. Hagemann , I. I. Mazin

The large variations of T$_c$ across the cuprate families is one of the major unsolved puzzles in condensed matter physics, and is poorly understood. Although there appears to be a great deal of universality in the cuprates, several orders…

Superconductivity · Physics 2010-08-23 S. Johnston , F. Vernay , B. Moritz , Z. -X. Shen , N. Nagaosa , J. Zaanen , T. P. Devereaux

A strong electron-phonon interaction arises from the modulation of the superexchange interaction by lattice vibrations. It is responsible for the softening of the half-breathing modes around (pm pi/a,0) and (0, pm pi/a) in the…

Superconductivity · Physics 2007-05-23 Fusayoshi J. Ohkawa

The effective attractive interaction between electrons, mediated by electron-phonon coupling, is a well-established mechanism of conventional superconductivity. In metals exhibiting a Fermi surface, the critical temperature of…

Superconductivity · Physics 2018-12-03 R. Ojajärvi , T. Hyart , M. Silaev , T. T. Heikkilä

We study the electron-phonon coupling in the C60 fullerene within the first-principles GW approach, focusing on the lowest unoccupied t1u three-fold electronic state which is relevant for the superconducting transition in electron doped…

Materials Science · Physics 2015-05-30 Carina Faber , Jonathan Laflamme Janssen , Michel Côté , E. Runge , X. Blase

A review of electronic properties of insulating-, boron- and phosphorus-doped diamond is given. The main goal is, to show data in a wider context, to reveal trends and limitations with respect to carrier mobilities, conductivities, p- and…

Materials Science · Physics 2020-05-11 Christoph E. Nebel