Literature DB >> 31444301

Lazy electrons in graphene.

Vaibhav Mohanty1,2, Eric J Heller1,2.   

Abstract

Within a tight-binding approximation, we numerically determine the time evolution of graphene electronic states in the presence of classically vibrating nuclei. There is no reliance on the Born-Oppenheimer approximation within the p-orbital tight-binding basis, although our approximation is "atomically adiabatic": the basis p-orbitals are taken to follow nuclear positions. Our calculations show that the strict adiabatic Born-Oppenheimer approximation fails badly. We find that a diabatic (lazy electrons responding weakly to nuclear distortions) Born-Oppenheimer model provides a much more accurate picture and suggests a generalized many-body Bloch orbital-nuclear basis set for describing electron-phonon interactions in graphene.

Entities:  

Keywords:  Born–Oppenheimer approximation; graphene; nonadiabatic dynamics; tight-binding; time-dependent quantum mechanics

Year:  2019        PMID: 31444301      PMCID: PMC6744868          DOI: 10.1073/pnas.1908624116

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  10 in total

1.  Ultrafast photoluminescence from graphene.

Authors:  Chun Hung Lui; Kin Fai Mak; Jie Shan; Tony F Heinz
Journal:  Phys Rev Lett       Date:  2010-09-16       Impact factor: 9.161

2.  Graphene. Phonons behaving badly.

Authors:  Antonio H Castro Neto
Journal:  Nat Mater       Date:  2007-03       Impact factor: 43.841

3.  Ultrafast relaxation of excited Dirac fermions in epitaxial graphene using optical differential transmission spectroscopy.

Authors:  Dong Sun; Zong-Kwei Wu; Charles Divin; Xuebin Li; Claire Berger; Walt A de Heer; Phillip N First; Theodore B Norris
Journal:  Phys Rev Lett       Date:  2008-10-06       Impact factor: 9.161

4.  The diabatic picture of electron transfer, reaction barriers, and molecular dynamics.

Authors:  Troy Van Voorhis; Tim Kowalczyk; Benjamin Kaduk; Lee-Ping Wang; Chiao-Lun Cheng; Qin Wu
Journal:  Annu Rev Phys Chem       Date:  2010       Impact factor: 12.703

5.  Light-field-driven currents in graphene.

Authors:  Takuya Higuchi; Christian Heide; Konrad Ullmann; Heiko B Weber; Peter Hommelhoff
Journal:  Nature       Date:  2017-09-25       Impact factor: 49.962

6.  Schrödinger Correspondence Applied to Crystals.

Authors:  Eric J Heller; Donghwan Kim
Journal:  J Phys Chem A       Date:  2019-05-09       Impact factor: 2.781

7.  Observation of a transient decrease in terahertz conductivity of single-layer graphene induced by ultrafast optical excitation.

Authors:  Giriraj Jnawali; Yi Rao; Hugen Yan; Tony F Heinz
Journal:  Nano Lett       Date:  2013-01-31       Impact factor: 11.189

8.  Carrier multiplication in graphene.

Authors:  Torben Winzer; Andreas Knorr; Ermin Malic
Journal:  Nano Lett       Date:  2010-11-05       Impact factor: 11.189

9.  Unconventional superconductivity in magic-angle graphene superlattices.

Authors:  Yuan Cao; Valla Fatemi; Shiang Fang; Kenji Watanabe; Takashi Taniguchi; Efthimios Kaxiras; Pablo Jarillo-Herrero
Journal:  Nature       Date:  2018-03-05       Impact factor: 49.962

10.  Breakdown of the adiabatic Born-Oppenheimer approximation in graphene.

Authors:  Simone Pisana; Michele Lazzeri; Cinzia Casiraghi; Kostya S Novoselov; A K Geim; Andrea C Ferrari; Francesco Mauri
Journal:  Nat Mater       Date:  2007-02-11       Impact factor: 43.841

  10 in total

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