Electron dynamics and optical properties modulation of monolayer MoS2 by femtosecond laser pulse: a simulation using time-dependent density functional theory
Electron dynamics and optical properties modulation of monolayer MoS2 by femtosecond laser pulse: a simulation using time-dependent density functional theory
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飞秒激光脉冲对单层 MoS2 的电子动力学和光学性质调制：使用瞬态密度泛函理论的模拟
DOI：
10.1007/s00339-017-1077-0
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发表时间：
2017-06
影响因子：
2.7
通讯作者：
Yongfeng Lu
中科院分区：
文献类型：
--
作者：
Xiaoxing Su;Lan Jiang;Feng Wang;Gaoshi Su;Liangti Qu;Yongfeng Lu
本文采用含时密度泛函理论研究了单层MoS 2的光学性质以及飞秒激光脉冲对这些性质的影响。描述了单层MoS 2在少周期和多周期激光辐照下的电子动力学。由于各向异性，激光的偏振方向对单层MoS 2的能量吸收和电子激发有显著影响。几个周期脉冲的偏振方向的变化改变了吸收的能量超过4000倍。与多周期脉冲相比，少周期脉冲对材料的电学性质具有更高的灵敏度。在飞秒时间尺度上观察到材料介电性能的调制。在低频时，该函数的真实的部分出现负发散，并且由于Burstein-Moss效应而发生光致蓝移。飞秒激光的照射引起了红外区的介电响应，并引入了各向异性的面内光学性质。通过控制瞬态电子动力学的光学性质的基于激光的工程扩展了MoS 2的功能，并在方向相关的光电器件中具有潜在的应用。
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.
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DOI：
10.1088/0953-8984/24/27/275801
发表时间：
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期刊：
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