Multi-scale coupling simulation method for n-type co-doped diamond semiconductor material preparation
A simulation method and diamond technology, applied in design optimization/simulation, computer material science, instruments, etc., can solve problems such as difficult optimization, high time and economic cost, and difficult to meet, so as to improve efficiency, maximize application potential, and control research and development Cost and Productivity Effects
Active Publication Date: 2021-11-05
SHENZHEN RES INST OF WUHAN UNIVERISTY
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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
Method used
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Embodiment
[0087] Such as figure 1 As shown in the overall process framework, the core idea of the present invention is to analyze the synthesis process of n-type co-doped diamond, and to couple each other from the three scales of microcosm - mesocosm - macrocosm, and perform simulation. Such as figure 2 As shown in Fig. 1, the specific way of transferring the input parameters required by each step and the obtained output parameters between calculations and simulations of different scales is reflected in the modified figure.
[0088] The method provided in this embodiment is as follows:
[0089] S1: Collect and organize all kinds of effective information involved in the whole process, and establish relevant models.
[0090] S2: Initially screen the periodic table of elements, select doped elements and corresponding nuclides, and combine them in pairs.
[0091] S3: Construct a diamond m×m×m (m can be an integer of 3 or more) supercell structure model, and make rough structure predic...
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The invention discloses a multi-scale coupling simulation method for the preparation of n-type co-doped diamond semiconductor materials. The steps are as follows: S1: collecting relevant information and modeling; S2: preliminary screening of doped elements and nuclides; S3: constructing diamond supercrystals Cell structure model, screening doping elements; S4: Establishing a gas deposition model on the diamond surface, testing element combinations and corresponding carrier molecules, and optimizing parameters; S5: Combined with the reaction of S4 and environmental parameters, for structural adjustment and simulation testing of the synthesis chamber , to determine the macroscopic reaction conditions; S6: find a more suitable mesoscopic environment for a specific product through simulation, and apply it to the simulation test of S5; S7: repeat S4, S5, S6 to obtain the optimal conditions. The invention establishes a microcosmic-mesoscopic-macroscopic simulation MPCVD simulation model for preparing n-type co-doped diamond semiconductors through multi-scale multi-physical field coupling simulation, reduces trial and error costs, and quickly obtains optimal preparation conditions.
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...
Claims
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IPC IPC(8): G16C60/00G16C20/10G16C20/30G16C10/00G16C20/90G06F30/28G06F30/23G06F113/08G06F119/08G06F119/14
CPCG16C10/00G16C20/10G16C20/30G16C20/90G16C60/00G06F30/23G06F30/28G06F2113/08G06F2119/08G06F2119/14
Inventor 李辉刘胜申胜男邹迪玮沈威
Owner SHENZHEN RES INST OF WUHAN UNIVERISTY