Electron dynamics and optical properties modulation of monolayer MoS2 by femtosecond laser pulse: a simulation using time-dependent density functional theory

Xiaoxing Su, Lan Jiang, Feng Wang, Gaoshi Su, Liangti Qu, Yongfeng Lu

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

In this study, we adopted time-dependent density functional theory to investigate the optical properties of monolayer MoS2 and the effect of intense few-cycle femtosecond laser pulses on these properties. The electron dynamics of monolayer MoS2 under few-cycle and multi-cycle laser irradiation were described. The polarization direction of the laser had a marked effect on the energy absorption and electronic excitation of monolayer MoS2 because of anisotropy. Change in the polarization direction of few-cycle pulse changed the absorbed energy by a factor over 4000. Few-cycle pulse showed a higher sensitivity to the electronic property of material than multi-cycle pulse. The modulation of the dielectric properties of the material was observed on the femtosecond time scale. The negative divergence appeared in the real part of the function at low frequencies and photoinduced blue shift occurred due to Burstein-Moss effect. The irradiation of femtosecond laser caused the dielectric response within the infrared region and introduced anisotropy to the in-plane optical properties. Laser-based engineering of optical properties through controlling transient electron dynamics expands the functionality of MoS2 and has potential applications in direction-dependent optoelectronic devices.

Original languageEnglish (US)
Article number476
JournalApplied Physics A: Materials Science and Processing
Volume123
Issue number7
DOIs
StatePublished - Jul 1 2017

Fingerprint

Ultrashort pulses
Density functional theory
Monolayers
Optical properties
Modulation
Electrons
Anisotropy
Polarization
Lasers
Energy absorption
Laser beam effects
Electronic properties
Optoelectronic devices
Dielectric properties
Irradiation
Infrared radiation
Direction compound

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)

Cite this

Electron dynamics and optical properties modulation of monolayer MoS2 by femtosecond laser pulse : a simulation using time-dependent density functional theory. / Su, Xiaoxing; Jiang, Lan; Wang, Feng; Su, Gaoshi; Qu, Liangti; Lu, Yongfeng.

In: Applied Physics A: Materials Science and Processing, Vol. 123, No. 7, 476, 01.07.2017.

Research output: Contribution to journalArticle

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