Magnetron sputtering multi-scale numerical simulation method, device, equipment, medium and product

Abstract

The invention discloses a magnetron sputtering multi-scale numerical simulation method, device and equipment, a medium and a product, and relates to the technical field of simulation. The method comprises the following steps: firstly, establishing a finite element model of a magnetron sputtering rectangular target magnetic field, and solving magnetic field distribution in a parallel target surface direction and a vertical target surface direction; then calculating a plasma discharge process according to the solved magnetic field distribution based on experimental process parameters to obtain energy distribution of ions incident on a target surface; then, the process that Ar ions bombard the target material is calculated through an MC algorithm, and the angle and energy distribution of sputtered target atoms are obtained; and then the energy distribution of ions entering the target surface is converted into target surface etching track distribution, and the transportation process of the sputtered target atoms from the target surface to the substrate is simulated according to the angle and energy distribution of the sputtered target atoms, so that the energy of the sputtered target atoms reaching the substrate is obtained. According to the invention, simulation and calculation of the magnetron sputtering process under different process conditions can be realized.

Description

Technical Field

[0001] The present application relates to the field of simulation technology, and in particular to a multi-scale numerical simulation method, device, equipment, medium and product for magnetron sputtering. Background Art

[0002] The coatings prepared by magnetron sputtering have the advantages of high film quality, high deposition rate, good adhesion, strong material adaptability, good controllability and environmental friendliness. They have been widely used in aerospace, semiconductor, optoelectronics, information, biomedicine and other fields, showing broad development prospects and application value. In the process of magnetron sputtering, plasma plays a vital role under the action of magnetic field and is an important bridge for converting target materials into coatings. Under different process conditions, plasma has different discharge characteristics. Changes in physical quantities such as plasma distribution, sheath generation, ion energy and flux will affect the growth and microstructure of the coating, thereby significantly changing the coating performance. At present, the plasma in magnetron sputtering is still like a "black box". The mechanism by which it affects the growth and performance of the coating through processes such as target sputtering and particle transport is still unclear. This is one of the main obstacles to the development of high-performance coatings and the preparation of new coatings. It is also an important scientific problem that needs to be solved for the further development of magnetron sputtering technology. Summary of the invention

[0003] The purpose of this application is to provide a multi-scale numerical simulation method, device, equipment, medium and product for magnetron sputtering, so as to realize the simulation and calculation of the magnetron sputtering process under different process conditions.

[0004] To achieve the above objectives, this application provides the following solutions.

[0005] In a first aspect, the present application provides a multi-scale numerical simulation method for magnetron sputtering, including:

[0006] The finite element model of the magnetic field of a rectangular target in magnetron sputtering was established to solve the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface.

[0007] Based on the experimental process parameters and the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface, the plasma discharge process is calculated to obtain the energy distribution of the ions incident on the target surface.

[0008] The process of Ar ion bombarding target atoms is calculated by MC (Monte Carlo) algorithm to obtain the angle and energy distribution of sputtered target atoms.

[0009] The energy distribution of the ions incident on the target surface is converted into the target surface etching trajectory distribution, and according to the angle and energy distribution of the sputtered target atoms, the transport process of the sputtered target atoms from the target surface to the substrate is simulated to obtain the energy of the sputtered target atoms when they reach the substrate.

[0010] Optionally, a finite element model of a magnetron sputtering rectangular target magnetic field is established to solve the magnetic field distribution in directions parallel to the target surface and perpendicular to the target surface, specifically including:

[0011] A finite element model of the magnetic field of a rectangular target in magnetron sputtering was established in Comsol Multiphysics (physical field simulation) software to solve the magnetic field distribution in the directions parallel to and perpendicular to the target surface.

[0012] Optionally, a finite element model of a magnetron sputtering rectangular target magnetic field is established to solve the magnetic field distribution in directions parallel to the target surface and perpendicular to the target surface, specifically including:

[0013] In Comsol Multiphysics software, an xy two-dimensional cross section was established in the Z direction, and a magnet model was established according to the actual size of the magnet of the magnetron sputtering equipment;

[0014] Establish the physical field of the current-free magnetic field of the rectangular target magnetic field of magnetron sputtering;

[0015] The area outside the magnet model in the physical field is set as the magnetic flux conservation area, the residual magnetic flux direction and residual magnetic flux density of the magnet model are set according to the measured value of the magnet, and a point is selected on the boundary of the magnet model as the zero magnetic scalar potential point to obtain the physical field model;

[0016] The physical field model is meshed to obtain the finite element model of the magnetic field of the rectangular target in magnetron sputtering;

[0017] Add a steady-state study to simulate the magnetic field of the finite element model, obtain the magnetic field distribution in the direction parallel to the target surface and the magnetic field distribution in the direction perpendicular to the target surface, and export them to the data.txt file.

[0018] Optionally, based on the experimental process parameters, according to the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface, the plasma discharge process is calculated to obtain the energy distribution of the ions incident on the target surface, specifically including:

[0019] In the XOOPIC (two-dimensional three-velocity intra-cell particle simulator) program, the initial simulation conditions are set according to the experimental process parameters, and the plasma discharge process in the target magnetron sputtering environment is calculated to obtain the energy distribution of ions incident on the target surface; the target magnetron sputtering environment is a magnetron sputtering environment characterized by the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface.

[0020] Optionally, the process of Ar ion bombarding the target material is calculated by the MC algorithm to obtain the angle and energy distribution of the sputtered target atoms, specifically including:

[0021] In the SRIM program, the target element and the incident Ar ion energy are set, and the process of Ar ion bombardment on the target is calculated by the MC algorithm to obtain the angle and energy distribution of the sputtered target atoms and store them in the SPUTTER.txt file.

[0022] Optionally, the energy distribution of the ions incident on the target surface is converted into the target surface etching trajectory distribution, and according to the angle and energy distribution of the sputtered target atoms, the transport process of the sputtered target atoms from the target surface to the substrate is simulated to obtain the energy of the sputtered target atoms when they reach the substrate, specifically including:

[0023] In the SIMTRA program, a three-dimensional model of the magnetron sputtering equipment was established;

[0024] Convert the energy distribution of ions incident on the target surface into a target surface etching track distribution of a three-dimensional model;

[0025] Read the angle and energy distribution of sputtered target atoms in the SPUTTER.txt file;

[0026] According to the angle and energy distribution of the sputtered target atoms, the transport process of the sputtered target atoms from the target surface to the substrate is simulated to obtain the energy of the target atoms when they reach the substrate.

[0027] In a second aspect, the present application provides a magnetron sputtering multi-scale numerical simulation device, wherein the magnetron sputtering multi-scale numerical simulation device applies the above-mentioned magnetron sputtering multi-scale numerical simulation method, and the magnetron sputtering multi-scale numerical simulation device comprises:

[0028] The magnetic field distribution solution module is used to establish a finite element model of the magnetic field of a rectangular target in magnetron sputtering and solve the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface;

[0029] The plasma discharge process calculation module is used to calculate the plasma discharge process based on the experimental process parameters and the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface, so as to obtain the energy distribution of the ions incident on the target surface;

[0030] Ar ion bombardment target element process calculation module, used to calculate the process of Ar ion bombardment target material through MC algorithm, and obtain the angle and energy distribution of sputtered target atoms;

[0031] The target atom transport process simulation module is used to convert the energy distribution of ions incident on the target surface into the target surface etching trajectory distribution, and simulate the transport process of the sputtered target atoms from the target surface to the substrate according to the angle and energy distribution of the sputtered target atoms, and obtain the energy of the sputtered target atoms when they reach the substrate.

[0032] In a third aspect, the present application provides a computer device, comprising: a memory, a processor, and a computer program stored in the memory and executable on the processor, wherein the processor executes the computer program to implement the above-mentioned magnetron sputtering multi-scale numerical simulation method.

[0033] In a fourth aspect, the present application provides a computer-readable storage medium having a computer program stored thereon, which, when executed by a processor, implements the above-mentioned magnetron sputtering multi-scale numerical simulation method.

[0034] In a fifth aspect, the present application provides a computer program product, including a computer program, which implements the above-mentioned magnetron sputtering multi-scale numerical simulation method when executed by a processor.

[0035] According to the specific embodiments provided in this application, this application has the following technical effects.

[0036] The present application provides a multi-scale numerical simulation method, device, equipment, medium and product for magnetron sputtering. The present application can simulate and calculate the magnetron sputtering process under different process conditions by simulating the plasma discharge, target sputtering and particle transport process during the magnetron sputtering process, and obtain the energy and angle distribution of the target atoms reaching the substrate, so as to provide feedback on the adjustment of the experimental process parameters, save experimental time and reduce economic costs. BRIEF DESCRIPTION OF THE DRAWINGS

[0037] In order to more clearly illustrate the embodiments of the present application or the technical solutions in the prior art, the drawings required for use in the embodiments are briefly introduced below. Obviously, the drawings described below are only some embodiments of the present application. For those of ordinary skill in the art, other drawings can also be obtained based on these drawings without creative work.

[0038] Figure 1 A schematic flow chart of a multi-scale numerical simulation method for magnetron sputtering provided in one embodiment of the present application.

[0039] Figure 2 A schematic diagram of the energy distribution of ions incident on the target surface provided in Example 1 of the present application.

[0040] Figure 3 A schematic diagram of the energy distribution of ions incident on a substrate provided in Example 1 of the present application.

[0041] Figure 4 This is a schematic diagram of the target surface etching trajectory provided in Example 1 of the present application.

[0042] Figure 5 A schematic diagram of the energy distribution of ions incident on the target surface provided in Example 2 of the present application.

[0043] Figure 6 Schematic diagram of the energy distribution of ions incident on the substrate provided in Embodiment 2 of the present application.

[0044] Figure 7 Schematic diagram of the target surface etching trajectory provided in Embodiment 2 of the present application.

[0045] Figure 8 Schematic diagram of the energy distribution of ions incident on the target surface provided in Embodiment 3 of the present application.

[0046] Fig. 9 Schematic diagram of the energy distribution of ions incident on the substrate provided in Embodiment 3 of the present application.

[0047] Fig.10 Schematic diagram of the target surface etching trajectory provided in Embodiment 3 of the present application.

[0048] Fig.11 Schematic diagram of the energy distribution of ions incident on the target surface provided in Embodiment 4 of the present application.

[0049] Fig.12 Schematic diagram of the energy distribution of ions incident on the substrate provided in Embodiment 4 of the present application.

[0050] Fig.13 Schematic diagram of the target surface etching trajectory provided in Embodiment 4 of the present application.

[0051] Fig.14 Schematic diagram of the structure of a computer device provided in an embodiment of the present application. Detailed implementation manners

[0052] Next, the technical solutions in the embodiments of the present application will be clearly and completely described in conjunction with the accompanying drawings in the embodiments of the present application. Obviously, the described embodiments are only a part of the embodiments of the present application, rather than all the embodiments. All other embodiments obtained by those of ordinary skill in the art based on the embodiments in the present application without creative efforts shall fall within the protection scope of the present application.

[0053] To make the above objects, features, and advantages of the present application more obvious and understandable, the present application will be further described in detail below in conjunction with the accompanying drawings and specific implementation manners.

[0054] In an exemplary embodiment, as Figure 1 shown, a magnetron sputtering multi-scale numerical simulation method is provided, including the following steps 101 to 104.

[0055] Step 101, establish a finite element model of the magnetic field of a magnetron sputtering rectangular target, and solve the magnetic field distributions in the direction parallel to the target surface and the direction perpendicular to the target surface.

[0056] Step 102, based on the experimental process parameters and the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface, the plasma discharge process is calculated to obtain the energy distribution of the ions incident on the target surface.

[0057] Step 103, calculating the process of Ar ions bombarding the target material by using the MC algorithm to obtain the angle and energy distribution of the sputtered target atoms.

[0058] Step 104, converting the energy distribution of the ions incident on the target surface into the target surface etching trajectory distribution, and simulating the transport process of the sputtered target atoms from the target surface to the substrate according to the angle and energy distribution of the sputtered target atoms, to obtain the energy of the sputtered target atoms when they reach the substrate.

[0059] The method provided in the embodiment of the present application uses finite element software (such as Comsol Multiphysics) to establish a finite element model of a magnetron sputtering rectangular target magnetic field, sets model parameters by measuring the properties of permanent magnets, solves the magnetic field strengths Bx and By of the parallel target surface and the vertical target surface by the finite element method, and interpolates the magnetic field data to obtain a data file with the same number of grids as in the XOOPIC program. A two-dimensional geometric model is established in the XOOPIC program, where the length x is the target surface length and the width y is the target substrate distance. The particle Newton equations and the collision process are solved by PIC (Particle in Cell) and MC (Monte Carlo) algorithms, and the energy distribution function F (x, E) of the ions incident on the target surface is output. A three-dimensional geometric model is established in the SIMTRA program, a target source and a substrate are added, and process conditions such as temperature and pressure are set. The target surface orbit file is calculated according to the energy distribution of the ions incident on the target surface obtained by the XOOPIC code, and the transport process of the target atoms sputtered out of the target material in the cavity is calculated by the MC algorithm, and the number of atoms and atomic energy reaching the substrate area are output to calculate the atomic transport efficiency. Combining the simulation results of XOOPIC and SIMTRA, the energy of the target atoms reaching the substrate and the energy transferred to the atoms by the ion collision incident on the substrate are calculated respectively. These two parts of energy are the main factors affecting the magnetron sputtering deposition coating. According to the simulation results, the coating structure and performance can be accurately matched.

[0060] This application uses the finite element method to calculate and solve the magnetic field to obtain a two-dimensional magnetic field distribution, which is used as a particle simulation condition to simulate plasma discharge, and the particle information is solved by the Monte Carlo algorithm, wherein the magnetic field data, the energy and angle of the sputtered atoms are the key physical quantities for coupling multiple physical processes. In particular, the plasma discharge characteristics are calculated by the XOOPIC code particle model, which is a major part of the entire simulation system. The physical quantities obtained by different numerical methods are formatted and connected to different programs as input parameters. The multi-scale numerical simulation method of magnetron sputtering in this application covers the spatial scale from centimeters to angstroms and the time scale from picoseconds to seconds. In space, magnetic field simulation (centimeter level) optimizes the magnetic field distribution of the device, plasma discharge (millimeter level to micrometer level) describes gas ionization and ion behavior, target atom sputtering (nanometer level to angstrom level) simulates atomic sputtering caused by ion bombardment, and sputtered target atom transport (millimeter level to centimeter level) tracks the motion trajectory of atoms from the target to the substrate. In terms of time, magnetic field simulation (milliseconds to seconds) focuses on steady-state distribution, plasma discharge (nanoseconds to microseconds) captures rapid ionization processes, target sputtering (picoseconds to nanoseconds) describes transient collision events, and sputtered target atom transport (microseconds to milliseconds) simulates the movement of atoms in the gas phase. The multi-scale numerical simulation method of magnetron sputtering in this application realizes multi-scale simulation in the magnetron sputtering process, comprehensively reveals the physical mechanism of magnetron sputtering, and provides theoretical support for process optimization and film performance prediction. Compared with the existing single-scale simulation method, the advantage of the present invention is that the multi-scale physical processes of magnetic field configuration, plasma discharge and particle transport are simulated at multiple scales, and the energy and angle information of deposited atoms in magnetron sputtering are accurately obtained while occupying a small amount of computing resources.

[0061] In another exemplary embodiment, four specific embodiments are provided to illustrate the implementation process and effect of the above method.

[0062] Embodiment 1:

[0063] The simulation parameters correspond to the process of preparing CrN coating by magnetron sputtering. In XOOPIC, x=0.13m, y=0.18m, target voltage 400V, secondary electron emission coefficient 0.2, substrate bias -200V, and pressure 0.2Pa. A finite element model was established in ComsolMultiphysics software to solve the magnetic field distribution in the direction parallel to the target surface and perpendicular to the target surface. An xy two-dimensional cross section was established in the Z direction, and the model was established according to the actual size of the magnet. The material property was selected as N54. A physical field without current magnetic field was established. The area outside the magnet was set to the flux conservation condition, and the global magnetic scalar potential Vm was set to 0. According to the measurement value of the magnetron sputtering device magnet by the Gauss meter, the residual magnetic flux direction and residual magnetic flux density modulus of the magnet were set. The recovery permeability was selected from the material, and a point on the model boundary was selected as the zero magnetic scalar potential point. The model grid was divided, and the custom cell size was selected at the magnet boundary. The grid controlled by the physical field was selected for the rest of the area. Add a steady-state study to simulate the magnetic field, obtain the magnetic flux density norms mfnc.Bx and mfnc.By in the x and y directions, and export them to the data.txt file.

[0064] Import the magnetic field data in the data.txt file into the XOOPIC program, set the initial simulation conditions according to the above experimental process parameters, perform numerical simulation of plasma discharge, and obtain the energy distribution of ions incident on the target surface and the substrate. In the XOOPIC program, set a rectangular simulation area of ​​x=0.25m and y=0.18m, set x=0.06-0.19m, y=0 as the target surface, apply a negative bias, set x=0.11-0.14m, y=0 as the substrate, and apply the same negative bias as the experiment. The PIC grid size is set to 0.001*0.001mm 2 Argon is used as the discharge gas, and the particle collision is calculated by the MCC algorithm, and the Newton equation and Poisson equation are solved to solve the motion trajectory and potential distribution of the charged particles. The plasma discharge process is calculated by the XOOPIC program to obtain the plasma density distribution, the flux and energy distribution of the incident target and matrix ions, and the potential distribution, and the data is exported through the built-in interface of the program.

[0065] The angle and energy distribution of the sputtered Cr atoms were calculated using the SRIM program. The target element was set to the same Cr target as in the experiment, the property parameters were set to the default values, the incident Ar ion energy was set to 50-400eV, and the MC algorithm was used to calculate the process of Ar ion bombardment on the Cr target surface. The angle, energy, and number information of the sputtered Cr atoms were stored in the SPUTTER.txt file.

[0066] In the SIMTRA program, a three-dimensional model was established according to the actual size of the magnetron sputtering equipment, and the target surface etching track was set according to the target surface IEDF (Ion Energy Distribution Function) obtained by XOOPIC simulation. The information of the sputtered Cr atoms was read from the SUPTTER.txt file, and the Cr atom transport process under different pressures was simulated to obtain the flux and energy of the Cr atoms reaching the substrate surface.

[0067] Experimental results:

[0068] Based on the above parameter settings, the XOOPIC program calculated the energy distribution of the ions incident on the target surface and the substrate when the discharge pressure is 0.2 Pa. Figure 2 and Figure 3 As shown, the target surface etching trajectory is calculated, as Figure 4 SRIM calculated the energy and angle distribution of Cr atoms sputtered from the target surface, and brought them into the SIMTRA program to obtain an atomic transport efficiency of 0.00419 and an average atomic energy reaching the substrate of 11.9 eV. Combined with the energy distribution of ions incident on the substrate calculated by XOOPIC, the energy transferred to atoms by ions near the substrate was calculated to be 78.92 eV.

[0069] Embodiment 2:

[0070] The simulation parameters correspond to the process of preparing CrN coating by magnetron sputtering. In XOOPIC, x=0.13m, y=0.18m, target voltage 400V, secondary electron emission coefficient 0.2, substrate bias voltage -200V, and pressure 0.3Pa. A finite element model was established in ComsolMultiphysics software to solve the magnetic field distribution in the direction parallel to the target surface and perpendicular to the target surface. The magnetic field data was brought into the XOOPIC program. The initial simulation conditions were set according to the above experimental process parameters, and the plasma discharge numerical simulation was performed to obtain the energy distribution of the ions incident on the target surface and the substrate. The angle and energy distribution of the sputtered Cr atoms were calculated by the SRIM program and stored in the SPUTTER.txt file. The energy distribution of the ions incident on the target surface calculated by XOOPIC was then converted into the target surface etching trajectory distribution. This information was brought into the SIMTRA program as input physical quantities. The transport process of Cr atoms from the target surface to the substrate was calculated by the MC model, and finally the energy of Cr atoms when they reached the substrate was obtained.

[0071] Experimental results:

[0072] Based on the above parameter settings, the XOOPIC program calculated the energy distribution of ions incident on the target surface and the substrate when the discharge pressure was 0.3 Pa, as shown in Figure 5 and Figure 6As shown, the target surface etching trajectory is calculated, as Figure 7 SRIM calculated the energy and angle distribution of Cr atoms sputtered from the target surface, and brought them into the SIMTRA program to obtain an atomic transport efficiency of 0.00439 and an average atomic energy reaching the substrate of 9.52 eV. Combined with the energy distribution of ions incident on the substrate calculated by XOOPIC, the energy transferred to atoms by ions near the substrate was calculated to be 31.28 eV.

[0073] Embodiment 3:

[0074] The simulation parameters correspond to the process of preparing CrN coating by magnetron sputtering. In XOOPIC, x=0.13m, y=0.18m, target voltage 400V, secondary electron emission coefficient 0.2, substrate bias voltage -200V, and pressure 0.4Pa. A finite element model was established in ComsolMultiphysics software to solve the magnetic field distribution in the direction parallel to the target surface and perpendicular to the target surface. The magnetic field data was brought into the XOOPIC program. The initial simulation conditions were set according to the above experimental process parameters, and the plasma discharge numerical simulation was performed to obtain the energy distribution of the ions incident on the target surface and the substrate. The angle and energy distribution of the sputtered Cr atoms were calculated by the SRIM program and stored in the SPUTTER.txt file. The energy distribution of the ions incident on the target surface calculated by XOOPIC was then converted into the target surface etching trajectory distribution. This information was brought into the SIMTRA program as input physical quantities. The transport process of Cr atoms from the target surface to the substrate was calculated by the MC model, and finally the energy of Cr atoms when they reached the substrate was obtained.

[0075] Experimental results:

[0076] Based on the above parameter settings, the XOOPIC program calculated the energy distribution of ions incident on the target surface and the substrate when the discharge pressure was 0.4 Pa, as shown in Figure 8 and Fig. 9 As shown, the target surface etching trajectory is calculated, as Fig.10 SRIM calculated the energy and angle distribution of Cr atoms sputtered from the target surface, and brought them into the SIMTRA program to obtain an atomic transport efficiency of 0.00495 and an average atomic energy reaching the substrate of 7.06 eV. Combined with the energy distribution of ions incident on the substrate calculated by XOOPIC, the energy transferred to atoms by ions near the substrate was calculated to be 18.26 eV.

[0077] Embodiment 4:

[0078] The simulation parameters correspond to the process of preparing CrN coating by magnetron sputtering. In XOOPIC, x=0.13m, y=0.18m, target voltage 400V, secondary electron emission coefficient 0.2, substrate bias voltage -200V, and pressure 0.5Pa. A finite element model was established in ComsolMultiphysics software to solve the magnetic field distribution in the direction parallel to the target surface and perpendicular to the target surface. The magnetic field data was brought into the XOOPIC program. The initial simulation conditions were set according to the above experimental process parameters, and the plasma discharge numerical simulation was performed to obtain the energy distribution of the ions incident on the target surface and the substrate. The angle and energy distribution of the sputtered Cr atoms were calculated by the SRIM program and stored in the SPUTTER.txt file. The energy distribution of the ions incident on the target surface calculated by XOOPIC was then converted into the target surface etching trajectory distribution. This information was brought into the SIMTRA program as input physical quantities. The transport process of Cr atoms from the target surface to the substrate was calculated by the MC algorithm, and finally the energy of Cr atoms when they reached the substrate was obtained.

[0079] Experimental results:

[0080] Based on the above parameter settings, the XOOPIC program calculated the energy distribution of ions incident on the target surface and the substrate when the discharge pressure was 0.5 Pa, as shown in Fig.11 and Fig.12 As shown, the target surface etching trajectory is calculated, as Fig.13 SRIM calculated the energy and angle distribution of target atoms sputtered from the target surface, and brought them into the SIMTRA program to obtain an atomic transport efficiency of 0.00573 and an average atomic energy reaching the substrate of 5.33 eV. Combined with the energy distribution of ions incident on the substrate calculated by XOOPIC, the energy transferred to atoms by ions near the substrate was calculated to be 7.28 eV.

[0081] Based on the same inventive concept, the embodiment of the present application also provides a magnetron sputtering multi-scale numerical simulation device for implementing the magnetron sputtering multi-scale numerical simulation method involved above. The implementation solution provided by the device to solve the problem is similar to the implementation solution recorded in the above method, so the specific limitations in one or more magnetron sputtering multi-scale numerical simulation device embodiments provided below can refer to the limitations of the magnetron sputtering multi-scale numerical simulation method above, and will not be repeated here.

[0082] In an exemplary embodiment, a multi-scale numerical simulation device for magnetron sputtering is provided, comprising:

[0083] The magnetic field distribution solution module is used to establish a finite element model of the magnetic field of a rectangular target in magnetron sputtering and solve the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface.

[0084] A plasma discharge process calculation module is used to calculate the plasma discharge process based on the magnetic field distributions in the direction parallel to the target surface and perpendicular to the target surface, and obtain the energy distribution of ions incident on the target surface according to the experimental process parameters.

[0085] An Ar ion bombardment of the target surface process calculation module is used to calculate the process of Ar ion bombardment of the target by the MC algorithm and obtain the angular and energy distributions of the sputtered target atoms.

[0086] A target atom transport process simulation module is used to convert the energy distribution of ions incident on the target surface into an etched track distribution on the target surface, and simulate the movement process of the sputtered target atoms from the target surface to the substrate according to the angular and energy distributions of the sputtered target atoms, so as to obtain the energy of the sputtered target atoms when they reach the substrate.

[0087] In an exemplary embodiment, a computer device is provided. The computer device can be a server or a terminal, and its internal structure diagram can be as Fig.14 shown. The computer device includes a processor, a memory, an input / output interface (Input / Output, abbreviated as I / O), and a communication interface. Among them, the processor, the memory, and the input / output interface are connected through a system bus, and the communication interface is connected to the system bus through the input / output interface. Among them, the processor of the computer device is used to provide computing and control capabilities. The memory of the computer device includes a non-volatile storage medium and an internal memory. The non-volatile storage medium stores an operating system, a computer program, and a database. The internal memory provides an environment for the operation of the operating system and the computer program in the non-volatile storage medium. The input / output interface of the computer device is used to exchange information between the processor and external devices. The communication interface of the computer device is used to communicate with external terminals through a network connection. When the computer program is executed by the processor, it implements a magnetron sputtering multi-scale numerical simulation method.

[0088] Those skilled in the art can understand that Fig.14 the structure shown in

[0089] is only a block diagram of some structures related to the solution of the present application, and does not constitute a limitation on the computer device to which the solution of the present application is applied. The specific computer device may include more or fewer components than those shown in the figure, or combine some components, or have different component arrangements. In an exemplary embodiment, a computer device is provided, including a memory and a processor. A computer program is stored in the memory, and when the processor executes the computer program, it implements the steps in the above method embodiments.

[0090] In an exemplary embodiment, a computer program product is provided, including a computer program, and when the computer program is executed by a processor, the steps in the above method embodiments are implemented.

[0091] It should be noted that the user information (including but not limited to user device information, user personal information, etc.) and data (including but not limited to data used for analysis, stored data, displayed data, etc.) involved in this application are all information and data authorized by the user or fully authorized by all parties.

[0092] Those skilled in the art can understand that all or part of the processes in the above-mentioned embodiment methods can be completed by instructing the relevant hardware through a computer program, and the computer program can be stored in a non-volatile computer-readable storage medium. When the computer program is executed, it can include the processes of the embodiments of the above-mentioned methods. Among them, any reference to the memory, database or other medium used in the embodiments provided in the present application can include at least one of non-volatile and volatile memory. Non-volatile memory can include read-only memory (ROM), magnetic tape, floppy disk, flash memory, optical memory, high-density embedded non-volatile memory, resistive random access memory (ReRAM), magnetoresistive random access memory (MRAM), ferroelectric random access memory (FRAM), phase change memory (PCM), graphene memory, etc. Volatile memory can include random access memory (RAM) or external cache memory, etc. By way of illustration and not limitation, RAM may be in various forms, such as static random access memory (SRAM) or dynamic random access memory (DRAM).

[0093] The database involved in each embodiment provided in this application may include at least one of a relational database and a non-relational database. The non-relational database may include a distributed database based on blockchain, etc., but is not limited thereto. The processor involved in each embodiment provided in this application may be a general-purpose processor, a central processing unit, a graphics processor, a digital signal processor, a programmable logic device, a data processing logic device based on quantum computing, etc., but is not limited thereto.

[0094] The technical features of the above embodiments may be combined arbitrarily. To make the description concise, not all possible combinations of the technical features in the above embodiments are described. However, as long as there is no contradiction in the combination of these technical features, they should be considered to be within the scope of this specification.

[0095] This article uses specific examples to illustrate the principles and implementation methods of this application. The description of the above embodiments is only used to help understand the method and core ideas of this application. At the same time, for those skilled in the art, according to the ideas of this application, there will be changes in the specific implementation methods and application scope. In summary, the content of this specification should not be understood as limiting this application.

Claims

1. A multi-scale numerical simulation method for magnetron sputtering, characterized in that: The magnetron sputtering multi-scale numerical simulation method comprises: The finite element model of the magnetic field of a rectangular target in magnetron sputtering was established to solve the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface. Based on the experimental process parameters and the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface, the plasma discharge process is calculated to obtain the energy distribution of the ions incident on the target surface. The process of Ar ion bombardment on the target is calculated by MC algorithm to obtain the angle and energy distribution of sputtered target atoms. The energy distribution of the ions incident on the target surface is converted into the target surface etching trajectory distribution, and according to the angle and energy distribution of the sputtered target atoms, the transport process of the sputtered target atoms from the target surface to the substrate is simulated to obtain the energy of the sputtered target atoms when they reach the substrate.

2. The multi-scale numerical simulation method of magnetron sputtering according to claim 1, characterized in that: The finite element model of the magnetic field of the rectangular target of magnetron sputtering is established to solve the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface, including: The finite element model of the magnetic field of a rectangular target in magnetron sputtering was established in Comsol Multiphysics software to solve the magnetic field distribution in the directions parallel to and perpendicular to the target surface.

3. The multi-scale numerical simulation method of magnetron sputtering according to claim 1, characterized in that: The finite element model of the magnetic field of the rectangular target of magnetron sputtering is established to solve the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface, including: In Comsol Multiphysics software, an xy two-dimensional cross section was established in the Z direction, and a magnet model was established according to the actual size of the magnet of the magnetron sputtering equipment; Establish the physical field of the current-free magnetic field of the rectangular target magnetic field of magnetron sputtering; The area outside the magnet model in the physical field is set as the magnetic flux conservation area, the residual magnetic flux direction and residual magnetic flux density of the magnet model are set according to the measured value of the magnet, and a point is selected on the boundary of the magnet model as the zero magnetic scalar potential point to obtain the physical field model; The physical field model is meshed to obtain the finite element model of the magnetic field of the rectangular target in magnetron sputtering; Add a steady-state study to simulate the magnetic field of the finite element model, obtain the magnetic field distribution in the direction parallel to the target surface and the magnetic field distribution in the direction perpendicular to the target surface, and export them to the data.txt file.

4. The multi-scale numerical simulation method of magnetron sputtering according to claim 1, characterized in that: Based on the experimental process parameters and the magnetic field distribution in the direction parallel to and perpendicular to the target surface, the plasma discharge process is calculated to obtain the energy distribution of the ions incident on the target surface, including: In the XOOPIC program, the initial simulation conditions are set according to the experimental process parameters, and the plasma discharge process in the target magnetron sputtering environment is calculated to obtain the energy distribution of the ions incident on the target surface; the target magnetron sputtering environment is a magnetron sputtering environment characterized by the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface.

5. The multi-scale numerical simulation method of magnetron sputtering according to claim 1, characterized in that: The MC algorithm is used to calculate the process of Ar ions bombarding the target material, and the angle and energy distribution of the sputtered target atoms are obtained, including: In the SRIM program, the target element and the incident Ar ion energy are set, and the process of Ar ion bombardment on the target is calculated by the MC algorithm to obtain the angle and energy distribution of the sputtered target atoms and store them in the SPUTTER.txt file.

6. The multi-scale numerical simulation method of magnetron sputtering according to claim 1, characterized in that: The energy distribution of the ions incident on the target surface is converted into the target surface etching trajectory distribution, and according to the angle and energy distribution of the sputtered target atoms, the transport process of the sputtered target atoms from the target surface to the substrate is simulated to obtain the energy of the sputtered target atoms when they reach the substrate, specifically including: In the SIMTRA program, a three-dimensional model of the magnetron sputtering equipment was established; Convert the energy distribution of ions incident on the target surface into a target surface etching track distribution of a three-dimensional model; Read the angle and energy distribution of sputtered target atoms in the SPUTTER.txt file; According to the angle and energy distribution of the sputtered target atoms, the transport process of the sputtered target atoms from the target surface to the substrate is simulated to obtain the energy of the target atoms when they reach the substrate.

7. A multi-scale numerical simulation device for magnetron sputtering, characterized in that: The magnetron sputtering multi-scale numerical simulation device applies the magnetron sputtering multi-scale numerical simulation method according to any one of claims 1 to 6, and the magnetron sputtering multi-scale numerical simulation device comprises: The magnetic field distribution solution module is used to establish a finite element model of the magnetic field of a rectangular target in magnetron sputtering and solve the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface; The plasma discharge process calculation module is used to calculate the plasma discharge process based on the experimental process parameters and the magnetic field distribution in the direction parallel to the target surface and in the direction perpendicular to the target surface, so as to obtain the energy distribution of the ions incident on the target surface; Ar ion bombardment target element process calculation module, used to calculate the process of Ar ion bombardment target material through MC algorithm, and obtain the angle and energy distribution of sputtered target atoms; The target atom transport process simulation module is used to convert the energy distribution of ions incident on the target surface into the target surface etching trajectory distribution, and simulate the transport process of the sputtered target atoms from the target surface to the substrate according to the angle and energy distribution of the sputtered target atoms, and obtain the energy of the sputtered target atoms when they reach the substrate.

8. A computer device comprising: A memory, a processor, and a computer program stored in the memory and executable on the processor, wherein the processor executes the computer program to implement the multi-scale numerical simulation method for magnetron sputtering as described in any one of claims 1 to 6.

9. A computer-readable storage medium having a computer program stored thereon, characterized in that: When the computer program is executed by a processor, the multi-scale numerical simulation method of magnetron sputtering described in any one of claims 1 to 6 is implemented.

10. A computer program product, comprising a computer program, characterized in that When the computer program is executed by a processor, the multi-scale numerical simulation method of magnetron sputtering described in any one of claims 1 to 6 is implemented.

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