We develop a theory for the renormalization of the phonon energy dispersion in graphene due to the combined effects of both Coulomb and electron-phonon (e-ph) interactions. We obtain the renormalized phonon energy spectrum by an exact analytic derivation of the phonon self-energy, finding three distinct Kohn anomalies (KAs) at the phonon wavevector $q = ω/v, 2k_F\pmω/v$ for LO phonons and one at $q = ω/v$ for TO phonons. The presence of these new KAs in graphene, in contrast to the usual KA $q = 2k_F$ in ordinary metals, originates from the dynamical screening of e-ph interaction (with a concomitant breakdown of the Born-Oppenheimer approximation) and the peculiar chirality of the graphene e-ph coupling.
Importance of Non-Adiabatic Effects on Kohn Anomalies in 1D metals
Université catholique de Louvain（天主教鲁汶大学）；Institute of Condensed Matter and Nanosciences, Université catholique de Louvain（天主教鲁汶大学凝聚态物质与纳米科学研究所）；WEL Research Institute（WEL研究所）；School of Materials Science and Engineering, Northwestern Polytechnical University（西北工业大学材料科学与工程学院）
Phonon softening is a ubiquitous phenomenon in condensed matter systems which is often associated with charge density wave (CDW) instabilities and anharmonicity. The interplay between phonon softening, CDW and superconductivity is a topic of intense debate. In this work, the effects of anomalous soft phonon instabilities on superconductivity are studied based on a recently developed theoretical framework that accounts for phonon damping and softening within the Migdal-Eliashberg theory. Model calculations show that the phonon softening in the form of a sharp dip in the phonon dispersion relati…
Interplay of Charge and Magnetic Orders in SmNiC$_2$ Mediated by Electron-Phonon Interaction
Institute for Quantum Materials and Technologies, Karlsruhe Institute of Technology（卡尔斯鲁厄理工学院量子材料与技术研究所）；Karlsruhe Nano Micro Facility (KNMFi), Karlsruhe Institute of Technology（卡尔斯鲁厄理工学院卡尔斯鲁厄纳米显微设施）；ESRF – The European Synchrotron（欧洲同步辐射装置）
The recent development of efficient chirality sorting techniques has opened the way to the use of single-walled carbon nanotubes (SWCNTs) in a plethora of nanoelectronic, photovoltaic, and optoelectronic applications. However, to understand the excitation processes undergone by SWCNTs, it is necessary to have highly efficient and accurate computational methods to describe their optical and electronic properties, methods which have until now been unavailable. Here we employ linear combinations of atomic orbitals (LCAOs) to represent the Kohn-Sham (KS) wavefunctions and perform highly efficient …
Quantum anomalies in Weyl semimetal (for either ${\bf E}\cdot{\bf B} \neq 0$ or ${\bf \nabla}T\cdot{\bf B} \neq 0$) leads to chiral charge and energy pumping between the opposite chirality nodes. This results in chiral charge and energy imbalance between the Weyl nodes which manifests in several intriguing magneto-transport phenomena. Here, we investigate the role of electrical-, thermal-, and gravitational chiral anomaly on magneto-transport in Weyl semimetals. We predict the planar Ettinghausen and Righi-Leduc effect to be a distinct signature of these quantum anomalies. We also demonstrate …
The adiabatic Born-Oppenheimer approximation is considered to be a robust approach that very rarely breaks down. Consequently, it is predominantly utilized to address various electron-phonon properties in condensed matter physics. By combining many-body perturbation and density functional theories we demonstrate the importance of dynamical (nonadiabatic) effects in estimating superconducting properties in various bulk and two-dimensional materials. Apart from the expected long-wavelength nonadiabatic effects, we found sizable nonadiabatic Kohn anomalies away from the Brillouin zone center for …
We present a constrained density functional perturbation theory scheme for the calculation of structural and harmonic vibrational properties of insulators in the presence of an excited and thermalized electron-hole plasma. The method is ideal to tame ultrafast light induced structural transitions in the regime where the photocarriers thermalize faster than the lattice, the electron-hole recombination time is longer than the phonon period and the photocarrier concentration is large enough to be approximated by an electron-hole plasma. The complete derivation presented here includes total energy…
