arXiv subjects

Yasushi Shinohara

Publications and source records attributed to Yasushi Shinohara.

18 recordsLinked to original sources

arXiv2025

Maxwell-Vlasov-Uehling-Uhlenbeck (VUU) Simulation for Coupled Laser-Electron Dynamics in a Metal Irradiated by Ultrashort Intense Laser Pulses

The description of electron-electron scattering presents challenges in the microscopic modeling of the interaction of ultrashort intense laser pulses with solids. We extend the semiclassical approach based on the Vlasov equation [Phys. Rev. B 104, 075157(2021)] to account for dynamic electron-electron scattering by introducing the Vlasov-Uehling-Uhlenbeck (VUU) equation. We further couple the VUU equation with Maxwell's equations to describe the laser pulse propagation. We apply the present approach to simulate laser-electron interactions in bulk and thin-film aluminum, focusing on energy absorption and transport. Our calculation results reveal that electron-electron scattering affects energy absorption more significantly under p-polarization than under s-polarization, highlighting the role of the non-uniform surface potential. Our simulations also show that the energy transport extends beyond the optical penetration depth, which is consistent with observations in previous laser ablation experiments. The developed Maxwell-VUU approach is expected to advance the understanding of intense laser-material interactions not only as a cost-effective alternative to the time-dependent density functional theory (TDDFT), but also by incorporating fermionic two-body collisions whose description is limited in TDDFT.

physics.plasm-ph↗

arXiv2024

High harmonic spin-orbit angular momentum generation in crystalline solids preserving multiscale dynamical symmetry

Symmetries essentially provide conservation rules in nonlinear light-matter interactions, that facilitate control and understanding of photon conversion processes or electron dynamics. Since anisotropic solids have rich symmetries, they are strong candidate to control both optical micro- and macroscale structures, namely spin (circular polarization) and orbital angular momentum (spiral wavefront), respectively. Here, we show structured high harmonic generation linked to the anisotropic symmetry of a solid. By strategically preserving a dynamical symmetry arising from the spin-orbit interaction of light, we generate multiple orbital angular momentum states in high-order harmonics. The experimental results exhibit the total angular momentum conservation rule of light even in the extreme nonlinear region, which is evidence that the mechanism originates from a dynamical symmetry. Our study provides a deeper understanding of multiscale nonlinear optical phenomena and a general guideline for using electronic structure to control structured light, such as through Floquet engineering.

physics.optics↗

arXiv2023

Enhancement of Zener tunneling rate via electron-hole attraction within a time-dependent quasi-Hartree-Fock method

The tunneling process, a prototypical phenomenon of nonperturbative dynamics, is a natural consequence of photocarrier generation in materials irradiated by a strong laser. Common treatments for Zener tunneling are based on a one-body problem with a field-free electronic structure. In a literature (Ikemachi et al., Phys. Rev. A 98, 023415 (2018)), a characteristic of gap shrinking or excitation can occur due to the electron-hole interaction for slow and strong time-varying electric fields. We have developed a theoretical framework called the quasi-Hartree-Fock (qHF) method to enable a more flexible imitation of the electronic structures and electron-hole attraction strength of materials compared to the original Hartree-Fock method. In the qHF framework, band gap, reduced effective mass, and electron-hole interaction strength can be independently selected to reproduce common crystals. In this study, we investigate the effect of electron-hole attraction on Zener tunneling subjected to a DC electric field for four different systems using the qHF method. Our findings demonstrate that the electron-hole attraction promotes the tunneling rates in all four material systems assumed as examples. Specifically, systems that have a strong electron-hole interaction show a few factor enhancements for tunneling rates under DC fields, while systems with a weak interaction show higher enhancements of a few tens of percent.

cond-mat.mes-hall↗

arXiv2023

1-MHz operation of 1.7-cycle multiple plate compression at 35-W average output power

We generated 1.7-cycle and 35-$μ$J pulses at a 1-MHz repetition rate by using two-stage multiple plate continuum compression of Yb-laser pulses with 80-W average input power. By adjusting the plate positions with careful consideration of the thermal lensing effect due to the high average power, we compressed the output pulse with a 184-fs initial duration to 5.7 fs by using only group-delay-dispersion compensation. This pulse achieved a sufficient beam quality ($M^2$ < 1.5) reaching a focused intensity over 10$^{14}$ W/cm$^2$ and a high spatial-spectral homogeneity (98%). Our study holds promise for a MHz-isolated-attosecond-pulse source for advanced attosecond spectroscopic and imaging technologies with unprecedentedly high signal-to-noise ratios.

physics.optics↗

arXiv2022

Enhanced energy deposition and carrier generation in silicon induced by two-color intense femtosecond laser pulses

We theoretically investigate the optical energy absorption of crystalline silicon subject to dual-color femtosecond laser pulses, using the time-dependent density functional theory (TDDFT). We employ the modified Becke-Johnson (mBJ) exchange-correlation potential which reproduces the experimental direct bandgap energy $E_g$. We consider situations where the one color is in the ultraviolet (UV) range above $E_g$ and the other in the infrared (IR) range below it. The energy deposition is examined as a function of mixing ratio $η$ of the two colors with the total pulse energy conserved. Energy transfer from the laser pulse to the electronic system in silicon is dramatically enhanced by simultaneous dual-color irradiation and maximized at $η\sim 0.5$. Increased is the number of generated carriers, not the absorbed energy per carrier. The effect is more efficient for lower IR photon energy, or equivalently, larger vector-potential amplitude. As the underlying mechanism is identified the interplay between intraband electron motion in the {\it valence} band (before excitation) driven by the IR component and resonant valence-to-conduction interband excitation (carrier injection) induced by the UV component. The former increases excitable electrons which pass through the $k$ points of resonant transitions. The effect of different multiphoton absorption paths or intraband motion of carriers generated in the conduction band play a minor role.

physics.plasm-ph↗

arXiv2022

Atomic real-space perspective of light-field-driven currents in graphene

When graphene is exposed to a strong few-cycle optical field, a directional electric current can be induced depending on the carrier-envelope phase of the field. This phenomenon has successfully been explained by the charge dynamics in reciprocal space, namely an asymmetry in the conduction band population left after the laser excitation. However, the corresponding real-space perspective has not been explored so far although it could yield knowledge about the atomic origin of the macroscopic currents. In this work, by adapting the nearest-neighbor tight-binding model including overlap integrals and the semiconductor Bloch equation, we reveal the spatial distributions of the light-field-driven currents on the atomic scale and show how they are related to the light-induced changes of charge densities. The atomic-scale currents flow dominantly through the network of the π bonds and are the strongest at the bonds parallel to the field polarization, where an increase of the charge density is observed. The real-space maps of the currents and changes in charge densities are elucidated using simple symmetries connecting real and reciprocal space. We also discuss the strong-field-driven Rabi oscillations appearing in the atomic-scale charge densities. This work highlights the importance of real-space measurements and stimulates future time-resolved atomic-scale experimental studies with high-energy electrons or X-rays, for examples.

physics.optics↗

arXiv2021

Semi-classical description of electron dynamics in extended systems under intense laser fields

We propose a semi-classical approach based on the Vlasov equation to describe the time-dependent electronic dynamics in a bulk simple metal under an ultrashort intense laser pulse. We include in the effective potential not only the ionic Coulomb potential and mean-field electronic Coulomb potential from the one-body electron distribution but also the exchange-correlation potential within the local density approximation (LDA). The initial ground state is obtained by the Thomas-Fermi model. To numerically solve the Vlasov equation, we extend the pseudo-particle method, previously used for nuclei and atomic clusters, to solids, taking the periodic boundary condition into account. We apply the present implementation to a bulk aluminum (FCC) conventional unit cell irradiated with a short laser pulse. The optical conductivity, refractive index, extinction coefficient, and reflectivity as well as energy absorption calculated with the Vlasov-LDA method are in excellent agreement with the results by the time-dependent density functional theory and experimental references.

physics.plasm-ph↗

arXiv2020

Detecting electron-phonon couplings during photo-induced phase transition

Photo-induced phase transitions have been intensively studied owing to the ability to control a material of interest in the ultrafast manner, which can induce exotic phases unable to be attained at equilibrium. However, the key mechanisms are still under debate, and it has currently been a central issue how the couplings between the electron, lattice, and spin degrees of freedom are evolving during photo-induced phase transitions. Here, we develop a new analysis method, frequency-domain angle-resolved photoemission spectroscopy, to gain precise insight into electron-phonon couplings during photo-induced insulator-to-metal transitions for Ta$_2$NiSe$_5$. We demonstrate that multiple coherent phonons generated by displacive excitations show band-selective coupling to the electrons. Furthermore, we find that the lattice modulation corresponding to the 2 THz phonon mode, where Ta lattice is sheared along the a-axis, is the most relevant for the photo-induced semimetallic state.

cond-mat.str-el↗

arXiv2020

Strong-Field Electron Dynamics in Solids

Solid-state materials have recently emerged as a new stage of strong-field physics and attosecond science. The mechanism of the electron dynamics driven by an ultrashort intense laser pulse is under intensive discussion. Here we theoretically discuss momentum-space strong-field electron dynamics in graphene and crystalline dielectrics and semiconductors. First, within massless Dirac fermion and tight-binding models for graphene, we rigorously derive intraband displacement and interband transition, which form the basis for understanding solid-state strong-field physics including high-harmonic generation (HHG). Then, based on the time-dependent Schrödinger equation for a one-dimensional model crystal, we introduce a simple, multiband, momentum-space three-step model that incorporates intraband displacement, interband tunneling, and recombination with a valence band hole. We also analyze how the model is modified by electron-hole interaction. Finally, actual three-dimensional materials are investigated. We present a time-dependent density-matrix method whose results for HHG are compared with experimental measurement results. Moreover, we describe the dynamical Franz-Keldysh effect in femtosecond time resolution, i.e., the time-dependent modulation of a dielectric function under an intense laser field, using a real-time time-dependent density functional theory.

cond-mat.mtrl-sci↗

arXiv2019

Asymmetric nonlinear optics of a polar chemical bond

A dielectric material's response to light is macroscopically described by electric displacement fields due to polarization and susceptibility, but the atomistic origin is light-cycle-driven motion of electron densities in the restoring forces of the atomic environment. Here we report how the macroscopic nonlinear-optical response of a heteronuclear crystal relates to the alignment and orientation of its chemical bonds. Substantial nonlinear emission is only observed if the electric field of an optical single-cycle pulse points from the less electronegative to the more electronegative element and not vice versa. This asymmetry is a consequence of the unbalanced real-space motion of valence charges along the direction of the bonds. These results connect a material's chemical structure to the optical response and may facilitate the comprehension and design of novel materials for applications in optics and lasers on basis of the atoms and how they connect.

physics.optics↗

arXiv2018

Gauge Invariance beyond the Electric Dipole Approximation

We study the gauge invariance of laser-matter interaction. The velocity gauge where the vector potential is expanded to the $n$-th order with respect to the spatial coordinate, and the length gauge where the electric and magnetic fields are expanded to the $n$-th and $(n-1)$-th orders, respectively, are mutually gauge-transformed, describing the physically equivalent situation. The latter includes up to the electric $2^{n+1}$-pole and magnetic $2^n$-pole interactions as well as two extra terms. The finding serves to develop consistent nonperturbative simulation methods beyond the electric dipole approximation.

physics.atom-ph↗

arXiv2018

SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience

SALMON (Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience, http://salmon-tddft.jp) is a software package for the simulation of electron dynamics and optical properties of molecules, nanostructures, and crystalline solids based on first-principles time-dependent density functional theory. The core part of the software is the real-time, real-space calculation of the electron dynamics induced in molecules and solids by an external electric field solving the time-dependent Kohn-Sham equation. Using a weak instantaneous perturbing field, linear response properties such as polarizabilities and photoabsorptions in isolated systems and dielectric functions in periodic systems are determined. Using an optical laser pulse, the ultrafast electronic response that may be highly nonlinear in the field strength is investigated in time domain. The propagation of the laser pulse in bulk solids and thin films can also be included in the simulation via coupling the electron dynamics in many microscopic unit cells using Maxwell's equations describing the time evolution of the electromagnetic fields. The code is efficiently parallelized so that it may describe the electron dynamics in large systems including up to a few thousand atoms. The present paper provides an overview of the capabilities of the software package showing several sample calculations.

physics.comp-ph↗

arXiv2017

Time-dependent Hartree-Fock study of electron-hole interaction effects on high-harmonic generation from periodic crystals

We investigate the multielectron effects on high-harmonic generation from solid-state materials using the time-dependent Hartree-Fock theory. We find qualitative change in harmonic spectra, in particular, multiple-plateau formation at significantly lower laser intensities than within the independent-electron approximation. We reveal its origin in terms of interband polarization, i.e, electron-hole polarization, enabling interband excitation at remote crystal momenta via Coulomb potential.

physics.optics↗

arXiv2017

Trajectory analysis of high-harmonic generation from periodic crystals

We theoretically study high-harmonic generation (HHG) from solids driven by intense laser pulses using a one-dimensional model periodic crystal. By numerically solving the time-dependent Schrödinger equation directly on a real-space grid, we successfully reproduce experimentally observed unique features of solid-state HHG such as the linear cutoff-energy scaling and the sudden transition from a single- to multiple-plateau structure. Based on the simulation results, we propose a simple model that incorporates vector-potential-induced intraband displacement, interband tunneling, and recombination with the valence-band hole. One key parameter is the valley-to-peak amplitude of the pulse vector potential, which determines the crystal momentum displacement during the half cycle. When the maximum peak-to-valley amplitude $A_{\rm peak}$ reaches the half width $\fracπ{a}$ of the Brillouin zone with $a$ being the lattice constant, the HHG spectrum exhibits a transition from a single- to multiple-plateau structure, and even further plateaus appear at $A_{\rm peak} = \frac{2π}{a}, \frac{3π}{a}, \cdots$. The multiple cutoff positions are given as functions of $A_{\rm peak}$ and the second maximum $A_{\rm peak}^{\prime}$, in terms of the energy difference between different bands. Using our recipe, one can draw electron trajectories in the momentum space, from which one can deduce, for example, the time-frequency structure of HHG without elaborate quantum-mechanical calculations. Finally, we reveal that the cutoff positions depend on not only the intensity and wavelength of the pulse, but also its duration, in marked contrast to the gas-phase case. Our model can be viewed as a solid-state and momentum-space counterpart of the familiar three-step model, highly successful for gas-phase HHG, and provide a unified basis to understand HHG from solid-state materials and gaseous media.

physics.optics↗

arXiv2016

Reduced-Shifted Conjugate-Gradient Method for a Green's Function: Efficient Numerical Approach in a Nano-structured Superconductor

We propose the reduced-shifted Conjugate-Gradient (RSCG) method, which is numerically efficient to calculate a matrix element of a Green's function defined as a resolvent of a Hamiltonian operator, by solving linear equations with a desired accuracy. This method does not calculate solution vectors of linear equations but does directly calculate a matrix element of the resolvent. The matrix elements with different frequencies are simultaneously obtained. Thus, it is easy to calculate the exception value expressed as a Matsubara summation of these elements. To illustrate a power of our method, we choose a nano-structured superconducting system with a mean-field Bogoliubov-de Gennes (BdG) approach. This method allows us to treat with the system with the fabrication potential, where one can not effectively use the kernel-polynomial-based method. We consider the d-wave nano-island superconductor by simultaneously solving the linear equations with a large number (~ 50000) of Matsubara frequencies.

cond-mat.supr-con↗

arXiv2015

Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

We develop numerical methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta generalized gradient approximation (meta-GGA) proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt a predictor-corrector step for stable time-evolution. Since energy functional is not known for the TB-mBJ potential, we propose a method to evaluate electronic excitation energy without referring to the energy functional. Calculations using the HSE hybrid functional is computationally expensive due to the nonlocal Fock-like term. We develop a computational method for the operation of the Fock-like term in Fourier space, for which we employ massively parallel computers equipped with graphic processing units. To demonstrate significances of utilizing potentials providing correct band gap energies, we compare electronic excitations induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: results using TB-mBJ and HSE are close to each other, while the excitation of the LDA calculation is more intensive than the others. At high laser intensities close to a damage threshold, we have found that electronic excitation energies are similar among the three cases.

cond-mat.mtrl-sci↗

arXiv2013

First-principles simulation of the optical response of bulk and thin-film α-quartz irradiated with an ultrashort intense laser pulse

A computational method based on a first-principles multiscale simulation has been used for calculating the optical response and the ablation threshold of an optical material irradiated with an ultrashort intense laser pulse. The method employs Maxwell's equations to describe laser pulse propagation and time-dependent density functional theory to describe the generation of conduction band electrons in an optical medium. Optical properties, such as reflectance and absorption, were investigated for laser intensities in the range $10^{10} \, \mathrm{W/cm^{2}}$ to $2 \times 10^{15} \, \mathrm{W/cm^{2}}$ based on the theory of generation and spatial distribution of the conduction band electrons. The method was applied to investigate the changes in the optical reflectance of $α$-quartz bulk, half-wavelength thin-film and quarter-wavelength thin-film and to estimate their ablation thresholds. Despite the adiabatic local density approximation used in calculating the exchange--correlation potential, the reflectance and the ablation threshold obtained from our method agree well with the previous theoretical and experimental results. The method can be applied to estimate the ablation thresholds for optical materials in general. The ablation threshold data can be used to design ultra-broadband high-damage-threshold coating structures.

cond-mat.mtrl-sci↗

arXiv2013

Numerical construction of a low-energy effective Hamiltonian in a self-consistent Bogoliubov-de Gennes approach of superconductivity

We propose a fast and efficient approach for solving the Bogoliubov-de Gennes (BdG) equations in superconductivity, with a numerical matrix-size reduction procedure proposed by Sakurai and Sugiura [J. Comput. Appl. Math. 159, 119 (2003)]. The resultant small-size Hamiltonian contains the information of the original BdG Hamiltonian in a given energy domain. In other words, the present approach leads to a numerical construction of a low-energy effective theory in superconductivity. The combination with the polynomial expansion method allows a self-consistent calculation of the BdG equations. Through numerical calculations of quasi-particle excitations in a vortex lattice, thermal conductivity, and nuclear magnetic relaxation rate, we show that our approach is suitable for evaluating physical quantities in a large-size superconductor and a nano-scale superconducting device, with the mean-field superconducting theory.

cond-mat.supr-con↗