Dynamical Projective Operatorial Approach (DPOA) for out-of-equilibrium
systems and its application to TR-ARPES
- URL: http://arxiv.org/abs/2307.01244v1
- Date: Mon, 3 Jul 2023 17:32:34 GMT
- Title: Dynamical Projective Operatorial Approach (DPOA) for out-of-equilibrium
systems and its application to TR-ARPES
- Authors: Amir Eskandari-asl and Adolfo Avella (University of Salerno, Italy)
- Abstract summary: We propose a novel model-Hamiltonian method, the dynamical projective operatorial approach (DPOA)
DPOA is built to address pumped systems and, in particular, pump-probe spectroscopies.
The latter expansion clarifies how single- and multi-photon resonances, rigid shifts, band dressings, and different types of sidebands emerge.
- Score: 0.0
- License: http://creativecommons.org/licenses/by/4.0/
- Abstract: Efficiently simulating real materials under the application of a
time-dependent field and computing reliably the evolution over time of relevant
response functions, such as the TR-ARPES signal or differential transient
optical properties, has become one of the main concerns of modern condensed
matter theory in response to the recent developments in all areas of
experimental out-of-equilibrium physics. In this manuscript, we propose a novel
model-Hamiltonian method, the dynamical projective operatorial approach (DPOA),
designed and developed to overcome some of the limitations and drawbacks of
currently available methods. Relying on (i) many-body second-quantization
formalism and composite operators, DPOA is in principle capable of handling
both weakly and strongly correlated systems, (ii) tight-binding approach and
wannierization of DFT band structures, DPOA naturally deals with the complexity
and the very many degrees of freedom of real materials, (iii) dipole gauge and
Peierls substitution, DPOA is built to address pumped systems and, in
particular, pump-probe spectroscopies, (iv) a Peierls expansion we have devised
ad hoc, DPOA is numerically extremely efficient and fast. The latter expansion
clarifies how single- and multi-photon resonances, rigid shifts, band
dressings, and different types of sidebands emerge and allows understanding the
related phenomenologies. Comparing DPOA to the single-particle density-matrix
approach and the Houston method (this latter is generalized to
second-quantization formalism), we show how it can compute multi-particle
multi-time correlation functions and go well beyond these approaches for real
materials. We also propose protocols for evaluating the strength of single- and
multi-photon resonances and for assigning the residual excited electronic
population at each crystal momentum and band to a specific excitation process.
The expression for ...
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