Fingerprints of hot-phonon physics in time-resolved correlated quantum lattice dynamics

Abstract

The time dynamics of the energy flow from electronic to lattice degrees of freedom in pump-probe setups could be strongly affected by the presence of a hot-phonon bottleneck, which can sustain longer coherence of the optically excited electronic states. Recently, hot-phonon physics has been experimentally observed and theoretically described in MgB${}_2$, the electron-phonon based superconductor with $T_{\mathrm{c}}\approx 39$ K. By employing a combined ab-initio and quantum-field-theory approach and by taking MgB${}_2$ as an example, here we propose a novel path for revealing the presence and characterizing the properties of hot phonons through a direct analysis of the information encoded in the lattice inter-atomic correlations. Such method exploits the underlying symmetry of the $E_{2g}$ hot modes characterized by a out-of-phase in-plane motion of the two boron atoms. Since hot phonons occur typically at high-symmetry points of the Brillouin zone, with specific symmetries of the lattice displacements, the present analysis is quite general and it could aid in revealing the hot-phonon physics in other promising materials, such as graphene, boron nitride, or black phosphorus.

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References in corpus (21)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Ultrafast Photoluminescence from Graphene
• Three-dimensional MgB${}_2$-type superconductivity in hole-doped diamond
• Disentangling the electronic and phononic glue in a high-Tc superconductor
• Coherent and incoherent electron-phonon coupling in graphite observed with radio-frequency compressed ultrafast electron diffraction
• Ultrafast Electron-Phonon Decoupling in Graphite
• Competing Ultrafast Energy Relaxation Pathways in Photoexcited Graphene
• Direct Role of Structural Dynamics in Electron-Lattice Coupling of Superconducting Cuprates
• Toward precise simulations of the coupled ultrafast dynamics of electrons and atomic vibrations in materials
• Mechanisms of electron-phonon coupling unraveled in momentum and time: The case of soft-phonons in TiSe${}_2$
• Nonequilibrium Lattice Dynamics in Monolayer MoS2
• Probing light-driven quantum materials with ultrafast resonant inelastic X-ray scattering
• Accessing the anisotropic non-thermal phonon populations in black phosphorus
• Anisotropic Nonequilibrium Lattice Dynamics of Black Phosphorus
• Anharmonic effects in MgB2? A comparative inelastic X-ray scattering and Raman study
• Study of temperature dependent atomic correlations in MgB${}_2$
• Photoemission Signatures of Non-Equilibrium Carrier Dynamics from First Principles
• Efficient first-principles methodology for the calculation of the all-phonon inelastic scattering in solids
• Multi-phonon diffuse scattering in solids from first-principles: Application to layered crystals and 2D materials
• Phonon-assisted processes in the ultraviolet transient optical response of graphene
• First-principles study of ultrafast dynamics of Dirac plasmon in graphene

Cited by in corpus (3)

• Superconductive materials with MgB2-like structures from data-driven screening
• Energy flow during relaxation in an electron-phonon system with multiple modes: A nonequilibrium Green's function study
• Properties and challenges of hot-phonon physics in metals: MgB${}_2$ and other compounds