Spectral Fingerprints of Electron-Plasmon Coupling

Abstract

We investigate the spectroscopic fingerprints of electron-plasmon coupling in integrated (PES) and angle-resolved photoemission spectroscopy (ARPES). To account for electron-plasmon interactions at a reduced computational cost, we derived the plasmonic polaron model, an approach based on the cumulant expansion of many-body perturbation theory that circumvents the calculation of the GW self-energy. Through the plasmonic polaron model, we predict the complete spectral functions and the effects of electron-plasmon coupling for Si, Ge, GaAs, and diamond. Si, Ge, and GaAs exhibit well-defined plasmonic polaron band structures, i.e., broadened replica of the valence bands redshifted by the plasmon energy. Based on these results, (i) we assign the structures of the plasmon satellite of silicon (as revealed by PES experiments) to plasmonic Van Hove singularities occurring at the L, $\Omega$, and X high-symmetry points and (ii) we predict the ARPES signatures of electron-plasmon coupling for Si, Ge, GaAs, and diamond. Overall, the concept of plasmonic polaron bands emerges as a new paradigm for the interpretation of electronic processes in condensed matter, and the theoretical approach presented here provides a computationally affordable tool to explore its effect in a broad set of materials.

7 pages, 4 figures

References in corpus (4)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Many-pole model of inelastic losses in x-ray absorption spectra
• Band structures of plasmonic polarons
• Satellite Band Structure in Silicon Caused by Electron-Plasmon Coupling

Cited by in corpus (21)

• Electron-phonon interactions from first principles
• The GW compendium: A practical guide to theoretical photoemission spectroscopy
• Multitier self-consistent $GW$+EDMFT
• A first principles TDDFT framework for spin and time-resolved ARPES in periodic systems
• Theory of electron-plasmon coupling in semiconductors
• Ab initio GW plus cumulant calculation for isolated band system: Application to organic conductor (TMTSF)2PF6 and transition-metal oxide SrVO3
• On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands
• Finite temperature Green's function approach for excited state and thermodynamic properties of cool to warm dense matter
• Particle-hole cumulant approach for inelastic losses in x-ray spectra
• Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2
• Two-dimensional plasmonic polarons in n-doped monolayer MoS2
• The GW plus cumulant method and plasmonic polarons: application to the homogeneous electron gas
• Dispersion and lineshape of plasmon satellites in one, two and three dimensions
• Cumulant expansion in the Holstein model: Spectral functions and mobility
• Electron-plasmon interaction induced plasmonic-polaron band replication in epitaxial perovskite SrIrO${}_3$ films
• Description of quasiparticle and satellite properties via cumulant expansions of the retarded one-particle Green's function
• Spectroscopic signatures of nonpolarons : the case of diamond
• Plasmarons in high-temperature cuprate superconductors
• Many-body calculations of plasmon and phonon satellites in angle-resolved photoelectron spectra using the cumulant expansion approach
• Beyond on-site Hubbard interaction in charge dynamics of cuprate superconductors
• Many-body Green's function approaches to the doped Fröhlich solid: Exact solutions and anomalous mass enhancement