1 南京邮电大学理学院, 南京 210023
2 南京邮电大学材料科学与工程学院, 南京 210023
3 河南大学物理与电子学院, 开封 475004
利用基于密度泛函理论的第一性原理计算研究了不同层数MoS2和VS2堆垛形成的范德瓦耳斯异质结的电子结构和光学性能。通过从头算分子动力学验证了两种异质结在室温下的稳定性。此外, 两种异质结均显示p型肖特基接触, 但相较于单层MoS2构成的异质结, 在双层MoS2和VS2堆垛形成的异质结中, 势垒高度从0.36 eV显著降低到0.08 eV, 有效地形成了低接触电阻, 有助于降低载流子输运损失的能量。光吸收光谱的计算表明, 双层MoS2构成的异质结具有更高的吸收峰值。研究成果对基于MoS2的异质结设计以及在高性能光电器件方面的应用提供了理论依据。
密度泛函理论 电子结构 范德瓦耳斯异质结 肖特基势垒 光吸收 density functional theory MoS2 MoS2 electronic structure van der Waals heterojunction Schottky barrier light absorption
Author Affiliations
Abstract
1 State Key Laboratory of High Field Laser Physics, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800, China
2 University of Chinese Academy of Sciences, Beijing 100049, China
3 Department of Physics, Shanghai Normal University, Shanghai 200234, China
Vortex harmonics with fractional average orbital angular momentum are generated when a relativistic fractional vortex beam is incident on and reflected from an over-dense plane plasma target. A two-step model is presented to explain the far-field patterns of the harmonics. In the first step, a fundamental spot-shaped hole is produced during the hole-boring stage, and harmonics are generated simultaneously. In the second step, different order harmonics are diffracted by the hole and propagate to the far field. This process can be accurately described by the Fraunhofer diffraction theory. This work facilitates a basic recognition of fractional vortex beams.
050.4865 Optical vortices 260.1960 Diffraction theory Chinese Optics Letters
2019, 17(5): 050501
