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

Noda, Minoru; Sato, Shunsuke A.; Hirokawa, Yuta; Uemoto, Mitsuharu; Takeuchi, Takashi; Yamada, Shunsuke; Yamada, Atsushi; Shinohara, Yasushi; Yamaguchi, Mas; Iida, Kazuhiro; Floss, Isabella; Otobe, Tomohito; Lee, Kyung-Min; Ishimura, Kazuya; Boku, Taisuke; Bertsch, G. F.; Nobusada, Katsuyuki; Yabana, Kazuhiro

doi:10.1016/j.cpc.2018.09.018

Cited by 152 publications

(93 citation statements)

References 48 publications

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“…Our group has been developing a computational method to describe electron dynamics based on TDDFT, solving the TDKS equation in real time and real space [13]. The program is developed as an open source software, SALMON (Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience) [14], and can be downloadable from our website [15]. For electron dynamics in crystalline solids, it has been applied to calculations of dielectric functions [16], coherent phonon generations [17,18], dielectric breakdown [19], and so on [20,21,22,23,24].…”

Section: Introductionmentioning

confidence: 99%

Energy transfer from intense laser pulse to dielectrics in time-dependent density functional theory

Yamada

Yabana

2019

Eur. Phys. J. D

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Energy transfer processes from a high-intensity ultrashort laser pulse to electrons in simple dielectrics, silicon, diamond, and α-quartz are theoretically investigated by first-principles calculations based on time-dependent density functional theory (TDDFT). Dependences on frequency as well as intensity of the laser pulse are examined in detail, making a comparison with the Keldysh theory. Although the Keldysh theory reliably reproduces the main features of the TDDFT calculation, we find some deviations between results by the two theories. The origin of the differences is examined in detail.PACS. PACS-key discribing text of that key -PACS-key discribing text of that key

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Section: Introductionmentioning

confidence: 99%

Energy transfer from intense laser pulse to dielectrics in time-dependent density functional theory

Yamada

Yabana

2019

Eur. Phys. J. D

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“…The theory and its implementation in the present calculation have been described elsewhere [19][20][21] ; therefore, we describe it briefly. The laser pulse that enters from the vacuum and attenuates in the medium varies on a scale of micrometers, while the electron dynamics take place on a subnanometer scale.…”

Section: Methodsmentioning

confidence: 99%

“…Recently, we developed a first-principle numerical program SALMON, which combines time-dependent density functional theory (TDDFT) and the Maxwell's equation 19 . In the present work, we would like to calculate the macroscopic carrier and hole distribution at the surface of silicon and cubic silicon carbide (3C-SiC).…”

Section: Introductionmentioning

confidence: 99%

Macroscopic electron-hole distribution in silicon and cubic silicon carbide by the intense femtosecond laser pulse

Otobe

2019

Journal of Applied Physics

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Electron excitations at silicon and 3C-SiC surfaces caused by an intense femtosecond laser pulse can be calculated by solving the time-dependent density functional theory and the Maxwell's equation simultaneously. The energy absorption, carrier density, and electron-hole quasi-temperatures decrease exponentially in 100 nm from the surface. The electron and hole quasi-temperatures have finite values even at large distances from the surface because of a specific photo-absorption channel. Although the quasi-temperature in the silicone shows smooth exponential descrease, 3C-SiC shows stepwise decrease because of the change of concerning bands. The quasi-temperature depends not only on the excitation process, i.e., tunnel and multi-photon absorption, but also on the band structure significantly.

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“…We performed the calculations by using the opensource software SALMON (Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience)53 which has been developed in our group and is available from the website, Ref. 54.…”

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confidence: 99%

Symmetry properties of attosecond transient absorption spectroscopy in crystalline dielectrics

Yamada

Yabana

2020

Phys. Rev. B

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We theoretically investigate a relation between the crystalline symmetry and the transient modulation of optical properties of crystalline dielectrics in pump-probe measurements using intense pump and attosecond probe fields. When the photon energy of the pump field is much below the bandgap energy, the modulation of the optical conductivity is caused by the intraband electronic motion, that is, the dynamical Franz-Keldysh effect. We analytically investigate symmetry properties of the modulated optical conductivity utilizing the Houston function, and derive a formula that relates the temporal oscillation in the absorption with the transformation properties of the modulated optical conductivity. To verify the validity of the formula, we perform real-time first-principles calculations based on the time-dependent density functional theory for a pump-probe process taking 4H-SiC crystal as an example.

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

Cited by 152 publications

References 48 publications

Energy transfer from intense laser pulse to dielectrics in time-dependent density functional theory

Energy transfer from intense laser pulse to dielectrics in time-dependent density functional theory

Macroscopic electron-hole distribution in silicon and cubic silicon carbide by the intense femtosecond laser pulse

Symmetry properties of attosecond transient absorption spectroscopy in crystalline dielectrics

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