Band structures of plasmonic polarons

Abstract

Using state-of-the-art many-body calculations based on the `GW plus cumulant' approach, we show that electron-plasmon interactions lead to the emergence of plasmonic polaron bands in the band structures of common semiconductors. Using silicon and group IV transition metal dichalcogenide monolayers (AX2 with A=Mo,W and X=S,Se) as prototypical examples, we demonstrate that these new bands are a general feature of systems characterized by well defined plasmon resonances. We find that the energy vs. momentum dispersion relations of these plasmonic structures closely follow the standard valence bands, although they appear broadened and blueshifted by the plasmon energy. Based on our results we identify general criteria for observing plasmonic polaron bands in the angle-resolved photoelectron spectra of solids.

arXiv comment5 pages, 3 figures

References in corpus (18)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Van der Waals heterostructures
• Phonons and related properties of extended systems from density-functional perturbation theory
• Angle-resolved photoemission spectroscopy of the cuprate superconductors
• Mobility engineering and metal-insulator transition in monolayer MoS2
• Evidence for ubiquitous strong electron-phonon coupling in high-temperature superconductors
• Local strain engineering in atomically thin MoS2
• Tunable polaronic conduction in anatase TiO2
• The Role of Electron-electron Interactions in Graphene ARPES Spectra
• How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS${}_2$
• Strength of the Spin-Fluctuation-Mediated Pairing Interaction in a High-Temperature Superconductor
• Carrier Plasmon Induced Nonlinear Band Gap Renormalization in Two-Dimensional Semiconductors
• The valence electron photoemission spectrum of semiconductors: ab initio description of multiple satellites
• GW method with the self-consistent Sternheimer equation
• Physical origin of satellite in photoemission of doped graphene: An ab-initio GW plus cumulant study
• Bosons in high temperature superconductors: an experimental survey
• Origin of the high-energy kink or the waterfall effect in the photoemission spectrum of the $\mathrm{B}{\mathrm{i}}_2\mathrm{S}{\mathrm{r}}_2\mathrm{CaC}{\mathrm{u}}_2{\mathrm{O}}_8$ high-temperature superconductor
• EMS Measurement of the Valence Spectral Function of Silicon - a test of Many-body Theory

Cited by in corpus (45)

• Advanced capabilities for materials modelling with Quantum ESPRESSO
• Electron-phonon interactions from first principles
• The GW compendium: A practical guide to theoretical photoemission spectroscopy
• Origin of the crossover from polarons to Fermi liquids in transition metal oxides
• Phonon driven Floquet matter
• Beyond the quasiparticle approximation: Fully self-consistent $GW$ calculations
• Multitier self-consistent $GW$+EDMFT
• Floquet analysis of excitations in materials
• Spectral Functions of the Uniform Electron Gas via Coupled-Cluster Theory and Comparison to the $GW$ and Related Approximations
• Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to full first principles theory and Fröhlich polaron
• 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
• Revisiting the origin of satellites in core level photoemission of transparent conducting oxides: the case of $n$-doped SnO${}_2$
• Finite temperature Green's function approach for excited state and thermodynamic properties of cool to warm dense matter
• Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2
• Cumulant Green's function calculations of plasmon satellites in bulk sodium: influence of screening and the crystal environment
• Photoemission Signatures of Non-Equilibrium Carrier Dynamics from First Principles
• Spin States Protected from Intrinsic Electron-Phonon-Coupling Reaching 100 ns Lifetime at Room Temperature in MoSe${}_2$
• Two-dimensional plasmonic polarons in n-doped monolayer MoS2
• Demonstration of resonant inelastic X-ray scattering as a probe of exciton-phonon coupling
• Spectral Fingerprints of Electron-Plasmon Coupling
• Dynamically screened vertex correction to $GW$
• Charge Transfer Effects in Naturally Occurring van der Waals Heterostructures (PbSe)1.16(TiSe2)m (m=1, 2)
• The GW plus cumulant method and plasmonic polarons: application to the homogeneous electron gas
• GW band structure of monolayer MoS2 using the SternheimerGW method and effect of dielectric environment
• Lifetime effects and satellites in the photoelectron spectrum of tungsten metal
• Quasiparticle spectra from molecules to bulk
• Plasmonically assisted channels of photoemission from metals
• Dispersion and lineshape of plasmon satellites in one, two and three dimensions
• Electron-plasmon interaction induced plasmonic-polaron band replication in epitaxial perovskite SrIrO${}_3$ films
• Plasmon-Phonon Hybridization in Doped Semiconductors from First Principles
• Description of quasiparticle and satellite properties via cumulant expansions of the retarded one-particle Green's function
• Pico-photonics: Anomalous Atomistic Waves in Silicon
• Electron correlations and silicon nanocluster energetics
• Plasmarons in high-temperature cuprate superconductors
• Quasiparticle gap renormalization driven by internal and external screening in a WS${}_2$ device
• Many-body calculations of plasmon and phonon satellites in angle-resolved photoelectron spectra using the cumulant expansion approach
• Band-selective Plasmonic Polaron in Thermoelectric Semimetal Ta${}_2$PdSe${}_6$ with ultra-high power factor
• From strong to weak correlations in breathing-mode kagome van der Waals materials: Nb${}_3$(F,Cl,Br,I)${}_8$ as a robust and versatile platform for many-body engineering
• Elucidating Many-Body Effects in Molecular Core Spectra through Real-Time Approaches: Efficient Classical Approximations and a Quantum Perspective
• Probing collective oscillation of $d$-orbital electrons at the nanoscale
• Going Beyond the Cumulant Approximation: Power Series Correction to Single Particle Green's Function in Holstein System
• 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