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48 results about "Electronic band" patented technology

Method for regulating electronic band gap in SiC-based epitaxial graphene

InactiveCN105088350ATunable electronic bandgapOvercoming controllabilityAfter-treatment detailsLattice defectsFold change
The invention discloses a method for regulating an electronic band gap in SiC-based epitaxial graphene. The method comprises the following steps of (a) calculating the damage distribution as well as electronic and nuclear energy loss distribution of irradiation ions in SiC crystals through SRIM software, and calculating an energy band structure of defected graphene; (b) irradiating an SiC-based epitaxial graphene sample by using an ion beam to form epitaxial graphene with the defected structure; (c) respectively observing metallographic structures of irradiated and non-irradiated graphene by using a metallographic microscope, and observing the surface folding changes of the irradiated and non-irradiated graphene by using a scanning electron microscope; (d) calculating the lattice defect amount of the graphene sample under different irradiation conditions through the formula as shown in the specification; and (e) testing the band gap in the epitaxial graphene by virtue of an infrared spectrum to achieve the aim of regulating the band gap. A controllable defected structure is generated in the graphene by using an ion irradiation method, furthermore, the electronic band gap in the graphene is regulated, and therefore, the defects of poor controllability and repeatability in the traditional process are overcome.
Owner:SHANDONG JIANZHU UNIV

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

PendingCN111883218AImproved nonlinear optical propertiesImproving second-order nonlinear optical propertiesComputational materials scienceInstrumentsNonlinear opticsComputational simulation
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.
Owner:HARBIN INST OF TECH
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