Method and device for regulating and controlling nonlinear optical properties of transition metal sulfide

A nonlinear optics and transition metal technology, applied in the field of analog computing, to improve the linear optical properties, simplify the process of calculating the optical band gap, and increase the speed.

Pending Publication Date: 2020-11-03
HARBIN INST OF TECH
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Problems solved by technology

[0004] The problem solved by the present invention is how to improve the nonlinear optica...

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  • Method and device for regulating and controlling nonlinear optical properties of transition metal sulfide
  • Method and device for regulating and controlling nonlinear optical properties of transition metal sulfide
  • Method and device for regulating and controlling nonlinear optical properties of transition metal sulfide

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Embodiment Construction

[0033] In order to make the above objects, features and advantages of the present invention more comprehensible, specific embodiments of the present invention will be described in detail below in conjunction with the accompanying drawings.

[0034] It should be noted that the terms "first" and "second" in the description and claims of the present invention and the above drawings are used to distinguish similar objects, but not necessarily used to describe a specific sequence or sequence. "Plurality" means at least two, such as two, three, etc., unless specifically defined otherwise. It is to be understood that the data so used are interchangeable under appropriate circumstances such that the embodiments of the invention described herein can be practiced in sequences other than those illustrated or described herein. In the embodiment of this application, MoS 2 As an example, the method for adjusting the nonlinear optical properties of transition metal sulfides will be describe...

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Abstract

The invention provides a method and device for regulating and controlling nonlinear optical properties of transition metal sulfide. The method comprises the steps of replacing one atom in a transitionmetal sulfide structure with a calibration atom, and obtaining a new atom lattice; optimizing lattice parameters of the new atomic lattice to obtain optimized lattice parameters; sequentially performing self-consistent calculation and non-self-consistent calculation according to the optimized lattice parameters to obtain preprocessed lattice parameters, and determining an electronic band gap according to the preprocessed lattice parameters; performing non-self-consistent calculation according to the preprocessed lattice parameters to obtain a wave function, and performing GW-BSE calculation according to the wave function to obtain an optical band gap; determining a band gap difference according to the optical band gap and the electronic band gap, and determining a correction parameter according to the band gap difference; and performing simulation according to the correction parameters and the control parameters to obtain a plurality of second-order nonlinear non-zero response spectra. According to the technical scheme, nonlinear optical properties of the transition metal sulfide are improved, and the complexity of the calculation simulation process is reduced.

Description

technical field [0001] The invention relates to the technical field of analog computing, in particular to a method and device for regulating nonlinear optical properties of transition metal sulfides. Background technique [0002] Two-dimensional materials have become a hot research topic in the field of materials in recent years because of their atomic-level thickness and excellent material properties. Among them, transition metal sulfides are widely used in the manufacture of photocatalysts, infrared photodetectors, nonlinear optical information processing devices, and light-emitting diodes due to their high degree of integration, optical band gap, and excitonic effect. In transition metal dichalcogenides, the Coulomb shielding effect of electrons will be weakened with the increase of the distance in the aperiodic direction of electrons, which makes transition metal dichalcogenides highly tunable. [0003] On the one hand, due to the in-plane center symmetry breaking of tr...

Claims

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Application Information

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IPC IPC(8): G16C60/00
CPCG16C60/00
Inventor 李兴冀李伟奇杨剑群应涛魏亚东
Owner HARBIN INST OF TECH
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