Multi-scale coupling simulation method for preparing n-type co-doped diamond semiconductor material

Abstract

The invention discloses a multi-scale coupling simulation method for preparing an n-type co-doped diamond semiconductor material. The multi-scale coupling simulation method comprises the following steps of: S1, collecting related information, and performing modeling; S2, preliminarily screening doping elements and nuclides; S3, constructing a diamond supercell structure model, and screening the doping elements; S4, establishing a diamond surface gas deposition model, testing element combinations and corresponding carrier molecules, and optimizing parameters; S5, through the reaction and environment parameters in the S4, carrying out structure adjustment and a simulation test on a synthesis chamber, and determining macroscopic reaction conditions; S6, seeking a more suitable mesoscopic environment for a specific product through analog simulation, and applying the mesoscopic environment to an analog simulation test in S5; and S7, repeating the steps S4, S5 and S6 to obtain an optimal condition. According to the method, the simulation model for preparing the n-type co-doped diamond semiconductor through the microcosmic-mesoscopic-macroscopic simulation MPCVD method is established through multi-scale multi-physical field coupling simulation, the trial and error cost is reduced, and the optimal preparation condition is rapidly obtained.

Description

technical field [0001] The invention belongs to the technical field of semiconductor devices, in particular to a multi-scale coupling simulation method in the synthesis process of n-type co-doped diamond semiconductor materials. Background technique [0002] Diamond is an allotrope of simple carbon. Due to its special atomic structure, it has extremely high hardness. Its microhardness is thousands of times higher than that of common quartz, and even hundreds of times higher than that of corundum. The hardest substance known in nature. In addition, due to its excellent properties in the fields of optics, acoustics, heat, electricity, chemistry, biology, etc., diamond has irreplaceable advantages and broad application prospects in various fields of industrial production and manufacturing. [0003] However, due to the low reserves of natural diamonds and the difficulty of mining, more diamonds in industrial production today use artificial diamonds. In the current industrial p...

AI Technical Summary

Problems solved by technology

Since the core reaction of diamond production by MPCVD is mainly based on the microscopic level, it is difficult to meet the specific parameters required by the experiment only by experimenting and observing from the macroscopic level.

In addition, the time and economic cost required to conduct a large number of experiments macroscopically are high, and only limited and isolated data sets can be obtained, making it difficult to optimize the entire reaction process of MPCVD diamond production from all angles

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