Theoretical description of time-resolved pump/probe photoemission in TaS\_2: a single-band DFT+DMFT(NRG) study within the quasiequilibrium approximation

Abstract

In this work, we theoretically examine recent pump/probe photoemission experiments on the strongly correlated charge-density-wave insulator TaS\_2. We describe the general nonequilibrium many-body formulation of time-resolved photoemission in the sudden approximation, and then solve the problem using dynamical mean-field theory with the numerical renormalization group and a bare density of states calculated from density functional theory including the charge-density-wave distortion of the ion cores and spin-orbit coupling We find a number of interesting results: (i) the bare band structure actually has more dispersion in the perpendicular direction than in the two-dimensional planes; (ii) the DMFT approach can produce upper and lower Hubbard bands that resemble those in the experiment, but the upper bands will overlap in energy with other higher energy bands; (iii) the effect of the finite width of the probe pulse is minimal on the shape of the photoemission spectra; and (iv) the quasiequilibrium approximation does not fully describe the behavior in this system.

arXiv comment(7 pages, 5 figures, proceedings for Coherence and correlations in nanosystems conference, September 5-10, Ustron, Poland)

References in corpus (4)

• The numerical renormalization group method for quantum impurity systems
• Spectroscopic signatures of a bandwidth-controlled Mott transition at the surface of 1T-TaSe${}_2$
• Phonon anomaly at the charge ordering transition in 1T-TaS2
• Remnant Fermi surface in the presence of an underlying instability in layered 1T-TaS_2

Cited by in corpus (21)

• Ultrafast switching to a stable hidden topologically protected quantum state in an electronic crystal
• Ultrafast melting of a charge-density wave in the Mott insulator 1T-TaS2
• Three Dimensional Metallic and Two Dimensional Insulating Behavior in Tantalum Dichalcogenides
• Time- and Angle-Resolved Photoemission Studies of Quantum Materials
• Robust charge-density wave strengthened by electron correlations in monolayer 1T-TaSe2 and 1T-NbSe2
• Fe-doping induced superconductivity in charge-density-wave system 1T-TaS2
• Orbital-driven Mottness collapse in 1T-TaS2-xSex transition metal dichalcogenide
• Orbital density wave order and electronic correlation driven insulating 1T-TaS2 monolayer
• Quasi one-dimensional metallic band dispersion in the commensurate charge density wave of $1T$-TaS${}_2$
• Theory for Time-Resolved Resonant Inelastic X-ray Scattering
• Mottness collapse without metallisation in the domain walls of triangular-lattice Mott insulator 1T-TaS${}_2$
• Time-resolved photoemission of correlated electrons driven out of equilibrium
• Nonequilibrium "melting" of a charge density wave insulator via an ultrafast laser pulse
• Electronic structure of single layer 1T-NbSe${}_2$: interplay of lattice distortions, non-local exchange, and Mott-Hubbard correlations
• Correlation tuned cross-over between thermal and nonthermal states following ultrafast transient pumping
• Deconfinement of Mott Localized Electrons into Topological and Spin-Orbit Coupled Dirac Fermions
• Photoinduced prethermal order parameter dynamics in the two-dimensional large-$N$ Hubbard-Heisenberg model
• Exact solution of a variety of X-ray probes in the Falicov-Kimball model with dynamical mean-field theory
• In-Gap Band Formation in a Periodically Driven Charge Density Wave Insulator
• Quantum Phases and Spin Liquid Properties of 1T-TaS2
• Giant Optomechanical Coupling in the Charge Density Wave State of Tantalum Disulfide