Method and device for calculating electron spinning state of iron-based biphase composite magnetic material

Abstract

The invention provides a method and device for calculating the electron spinning state of an iron-based biphase composite magnetic material, and relates to the technical field of magnetic materials. The method comprises the following steps: establishing a heterojunction model of a biphase composite magnetic material; according to the method, generalized gradient approximation in a density functional theory is adopted as an exchange-correlation functional, relaxation is carried out on atomic positions in a heterojunction model, so that the total energy of a system is the lowest, and geometric structure optimization is carried out on the heterojunction model; performing spin polarization calculation on the optimized heterojunction model to obtain spin upward state densities and spin downward state densities of different atoms in the heterojunction model, and analyzing electronic state distribution near a Fermi level; and quantitatively evaluating the magnetic characteristics of the heterojunction model according to the spin upward state density and the spin downward state density of each atom. According to the method, an interface magnetic coupling mechanism can be disclosed, and a theoretical basis can be provided for development of a high-performance magnetically controlled reactor iron core material.

Description

Technical Field

[0001] The present invention relates to the technical field of magnetic materials, and particularly relates to a calculation method and device for the electronic spin state of an iron-based dual-phase composite magnetic material. Background Art

[0002] A magnetic control reactor is a regulating device widely used in power systems. By adjusting the magnetic permeability of the iron core, the dynamic regulation of the reactance value is achieved. The magnetic properties of the iron core material directly determine the efficiency, response speed, and stability of the magnetic control reactor. Therefore, developing iron core materials with excellent magnetic characteristics has become an important research direction in the field of magnetic control reactors.

[0003] Soft magnetic materials are easily magnetized and demagnetized in weak magnetic fields and are mainly used in application scenarios that require rapid magnetization and demagnetization. The advantages of soft magnetic materials lie in their high magnetic permeability and magnetization efficiency, low hysteresis loss and eddy current loss, and at the same time, they are easily processed into various shapes, suitable for iron cores with complex structures. However, the saturation magnetic induction intensity of soft magnetic materials is relatively low, and the magnetic anisotropy is weak. There may be problems such as limited lifespan in high-frequency environments. Common soft magnetic materials include silicon steel, iron-nickel alloys, and iron-silicon aluminum alloys, etc., which are widely used in transformers, inductors, and magnetic control reactors. Hard magnetic materials can still maintain strong magnetism after the external magnetic field is removed and possess excellent magnetic properties. The advantages of hard magnetic materials lie in their high coercivity and magnetic stability, and at the same time, they have a high energy density and are suitable for fields such as magnetic energy storage. However, due to the difficulty of magnetizing and demagnetizing hard magnetic materials, the manufacturing and processing costs are relatively high, and the hysteresis loss is large, resulting in increased energy consumption. Typical hard magnetic materials such as NdFeB and SmCo, etc., are mainly used in permanent magnets, magnetic storage devices, and motor fields.

[0004] Dual-phase materials are composed of a soft magnetic phase and a hard magnetic phase, and the magnetic properties are optimized through the interaction at the phase interface. Compared with single soft magnetic materials or hard magnetic materials, dual-phase materials with appropriate proportions can combine the advantages of soft magnetic and hard magnetic materials, providing high magnetic permeability, magnetic retention ability, and excellent magnetic regulation performance. However, there has been no theoretical research on the magnetic properties of dual-phase materials combining soft and hard magnets. Summary of the Invention

[0005] The purpose of the present invention is to provide a calculation method and device for the electronic spin state of an iron-based dual-phase composite magnetic material, which is used to solve problems such as the lack of theoretical research on the magnetic properties of dual-phase materials combining soft and hard magnets in the prior art. Conducting research on the magnetic property theory of dual-phase materials can reveal the interfacial magnetic coupling mechanism and provide a theoretical basis for the development of high-performance iron core materials for magnetic control reactors.

[0006] To achieve the above purpose, in the first aspect, the present invention provides a calculation method for the electronic spin state of an iron-based dual-phase composite magnetic material, including: Establish a heterojunction model of the dual-phase composite magnetic material; Using the generalized gradient approximation in density functional theory as the exchange-correlation functional, relax the atomic positions in the heterojunction model to minimize the total energy of the system, thereby optimizing the geometric structure of the heterojunction model; Perform spin polarization calculations on the optimized heterojunction model to obtain the spin-up and spin-down state densities of different atoms in the heterojunction model, and analyze the electron state distribution near the Fermi level; Quantitatively evaluate the magnetic properties of the heterojunction model based on the spin-up and spin-down state densities of each atom.

[0007] According to a method for calculating the electron spin state of an iron-based dual-phase composite magnetic material provided by the present invention, the dual-phase composite magnetic material is composed of a soft magnetic material and a hard magnetic material. According to a method for calculating the electron spin state of an iron-based dual-phase composite magnetic material provided by the present invention, the soft magnetic material includes iron oxide, silicon steel, iron-nickel alloy or iron-silicon-aluminum alloy, and the hard magnetic material includes neodymium iron boron or samarium cobalt. According to a method for calculating the electron spin state of an iron-based dual-phase composite magnetic material provided by the present invention, the dual-phase composite magnetic material is composed of iron oxide and neodymium iron boron. According to a method for calculating the electron spin state of an iron-based dual-phase composite magnetic material provided by the present invention, in the heterojunction model, the

[101] crystal plane of iron oxide is docked with the

[101] crystal plane of neodymium iron boron. According to a method for calculating the electron spin state of an iron-based dual-phase composite magnetic material provided by the present invention, in the dual-phase composite magnetic material, the ratio of iron oxide to neodymium iron boron is 1:3. According to a method for calculating the electron spin state of an iron-based dual-phase composite magnetic material provided by the present invention, in the dual-phase composite magnetic material, the ratio of iron oxide to neodymium iron boron is 3:3.

[0008] According to a method for calculating the electron spin state of an iron-based dual-phase composite magnetic material provided by the present invention, in the dual-phase composite magnetic material, the ratio of iron oxide to neodymium iron boron is 5:3.

[0009] According to a method for calculating the electron spin state of an iron-based dual-phase composite magnetic material provided by the present invention, the dual-phase composite magnetic material is applied to the iron core of a magnetic control reactor.

[0010] In a second aspect, the present invention provides a device for calculating the electron spin state of an iron-based dual-phase composite magnetic material, including: A building unit for building a heterojunction model of the dual-phase composite magnetic material; An optimization unit, which is used to adopt the generalized gradient approximation in density functional theory as the exchange-correlation functional to relax the atomic positions in the heterojunction model, so that the total energy of the system reaches the lowest, thereby optimizing the geometric structure of the heterojunction model; An analysis unit, which is used to perform spin polarization calculations on the optimized heterojunction model, obtain the spin-up and spin-down state densities of different atoms in the heterojunction model, and analyze the electron state distribution near the Fermi level; An evaluation unit, which is used to quantitatively evaluate the magnetic properties of the heterojunction model according to the spin-up and spin-down state densities of each atom.

[0011] The present invention has at least the following technical effects: 1. The present invention can perform the state density distributions of spin-up and spin-down electrons in the heterojunction at the atomic scale. Through first-principles calculations and spin-resolved state density analysis, the electron reconstruction and magnetic coupling mechanisms at the interface can be accurately revealed. Different from the indirect measurement methods of traditional experimental means, the method of the present invention provides an intuitive understanding of the electron behavior at the interface, which helps to analyze the magnetic cooperative effect of the heterojunction.

[0012] 2. By analyzing the electron state distribution near the Fermi level, the present invention can quantitatively evaluate the magnetic properties of the material; and by analyzing the spin-up and spin-down state densities of each atom, the magnetic properties of the heterojunction can be quantitatively evaluated. This quantitative analysis method helps to determine the applicability of the material in the magnetic control reactor and provides theoretical support for the material selection and optimization.

[0013] 3. The present invention can effectively make up for the limitations of experimental measurements. Under extreme environmental conditions (such as high temperature, high magnetic field or radiation environment), it may be technically challenging to directly perform experimental measurements. However, through simulation calculation and analysis, not only can these complex conditions be simulated, but also the magnetic changes of the material under different environments can be studied. Through in-depth analysis of the electron spin characteristics, the present invention provides an important basis for the reliability evaluation of the material in practical applications. Description of the Drawings

[0014] In order to more clearly illustrate the technical solutions in the present invention or the prior art, the following will briefly introduce the drawings required for the description of the embodiments or the prior art. Obviously, the drawings in the following description are some embodiments of the present invention. For those of ordinary skill in the art, other drawings can be obtained based on these drawings without creative efforts.

[0015] In the drawings: Figure 1 It is the spin-up and spin-down state density curve diagram of each atom of Fe2O3 of the present invention at different energies; Figure 2 The figure shows the spin-up and spin-down density of states curves of each atom in NdFeB of the present invention at different energies; Figure 3 The figure shows the spin-up and spin-down density of states curves of each atom in Biphasic Material 1 of the present invention at different energies; Figure 4 The figure shows the spin-up and spin-down density of states curves of each atom in Biphasic Material 2 of the present invention at different energies; Figure 5 The figure shows the spin-up and spin-down density of states curves of each atom in Biphasic Material 3 of the present invention at different energies; Figure 6 The figure shows the schematic diagram of the spin-down density of states of Fe2O3 of the present invention; Figure 7 The figure shows the schematic diagram of the spin-up density of states of Fe2O3 of the present invention; Figure 8 The figure shows the schematic diagram of the spin-down density of states of NdFeB of the present invention; Figure 9 The figure shows the schematic diagram of the spin-up density of states of NdFeB of the present invention; Figure 10 The figure shows the schematic diagram of the spin-down density of states of Biphasic Material 1 of the present invention; Figure 11 The figure shows the schematic diagram of the spin-up density of states of Biphasic Material 1 of the present invention; Figure 12 The figure shows the schematic diagram of the spin-down density of states of Biphasic Material 2 of the present invention; Figure 13 The figure shows the schematic diagram of the spin-up density of states of Biphasic Material 2 of the present invention; Figure 14 The figure shows the schematic diagram of the spin-down density of states of Biphasic Material 3 of the present invention; Figure 15 The figure shows the schematic diagram of the spin-up density of states of Biphasic Material 3 of the present invention; Figure 16 The figure shows the flow chart of the calculation method for the electron spin state of the iron-based biphasic composite magnetic material of the present invention. Detailed implementation manners

[0016] To make the objectives, technical solutions and advantages of the present invention clearer, the technical solutions in the present invention will be clearly and completely described below with reference to the accompanying drawings in the present invention. Obviously, the described embodiments are some, but not all, of the embodiments of the present invention. All other embodiments obtained by those of ordinary skill in the art based on the embodiments in the present invention without creative efforts shall fall within the protection scope of the present invention.

[0017] The following will, in conjunction with the accompanying drawings, elaborate on some embodiments of the present invention. Without conflict, the following embodiments and the features in the embodiments may be combined with each other.

[0018] For the application scenarios in magnetically controlled reactors, studying dual-phase materials has important scientific significance and practical value. By studying the electron spin characteristics of dual-phase materials, the magnetic coupling effect at the soft-hard phase interface can be revealed, and the magnetic control mechanism of the materials can be further understood. At the same time, by analyzing the distribution of electrons with spin up and spin down in the soft and hard phase materials, it helps to quantitatively evaluate the source of magnetic enhancement and provides a theoretical basis for the magnetic property optimization of dual-phase materials.

[0019] The present invention calculates the electron spin characteristics of single-phase soft magnetic materials, single-phase hard magnetic materials, and dual-phase magnetic materials based on first principles through simulation software, and analyzes the electronic structures and magnetic properties of different materials. By analyzing the electron spin states at the interface, the interface magnetic coupling mechanism is revealed. Based on the spin-up and spin-down density of states data, it can provide a theoretical basis for the development of high-performance magnetically controlled reactor core materials. Through this research method, not only can the understanding of the magnetic properties of dual-phase materials be deepened, but also effective technical support can be provided for the design of new magnetic materials.

[0020] Please refer to Figure 16 , an embodiment of the present invention provides a method for calculating the electron spin state of an iron-based dual-phase composite magnetic material, including: Step 1: Establish a heterojunction model of the dual-phase composite magnetic material; Specifically, the dual-phase composite magnetic material is composed of a soft magnetic material and a hard magnetic material. Among them, the soft magnetic material includes iron oxide, silicon steel, iron-nickel alloy, or iron-silicon-aluminum alloy, etc., and the hard magnetic material includes neodymium iron boron or samarium cobalt, etc. The dual-phase composite magnetic material can be applied to the core of a magnetically controlled reactor.

[0021] In this embodiment, the dual-phase composite magnetic material is composed of iron oxide (Fe2O3) and neodymium iron boron (NdFeB). Step 1 specifically includes: creating the crystal structures of Fe2O3 and NdFeB in the simulation software respectively, selecting the

[101] crystal plane of both as the bonding surface, and constructing a heterojunction model. Reasonably select the atomic arrangement mode at the interface to ensure the structural stability and actual physical meaning at the junction.

[0022] Step 2: Using the generalized gradient approximation (GGA) in density functional theory (DFT) as the exchange-correlation functional, relax the atomic positions in the heterojunction model to minimize the total energy of the system, thereby optimizing the geometric structure of the heterojunction model; the equilibrium structure obtained through optimization can ensure higher accuracy and reliability of the calculation results. In Step 2, based on the first principles, the geometric structure of the heterojunction model is optimized to make the interface structure reach a stable state.

[0023] Step 3: Perform spin-polarized calculations on the optimized heterojunction model to obtain the spin-up and spin-down state densities of different atoms in the heterojunction model, and focus on analyzing the electronic state distribution near the Fermi level to reveal the reconstruction of interface electrons and magnetic changes; Step 4: Quantitatively evaluate the magnetic properties of the heterojunction model according to the spin-up and spin-down state densities of each atom.

[0024] It should be noted that based on the calculation of spin state density, the present invention further analyzes the magnetic parameters. Examine the occupancy of spin-up and spin-down electrons at different energies to determine the magnetic coupling characteristics and the changes in electronic states near the Fermi level.

[0025] Furthermore, by comparing the analysis results of single-phase Fe2O3, single-phase NdFeB, and two-phase Fe2O3-NdFeB heterojunction models, the magnetic cooperative effect and magnetic coupling mechanism at the soft-hard phase interface can be revealed. In this embodiment, the ratio of the soft magnetic phase Fe2O3 to the hard magnetic phase NdFeB is 1:3, denoted as two-phase material 1; the ratio of the soft magnetic phase Fe2O3 to the hard magnetic phase NdFeB is 3:3, denoted as two-phase material 2; the ratio of the soft magnetic phase Fe2O3 to the hard magnetic phase NdFeB is 5:3, denoted as two-phase material 3.

[0026] Through the method of the present invention, not only can the electron spin characteristics of the Fe2O3-NdFeB heterojunction be accurately simulated, but also the magnetic coupling effect at the interface can be quantitatively analyzed. This method has high generality and can also be extended and applied to the electronic structure research and magnetic property optimization of other magnetic heterojunction materials.

[0027] Figures 1 to 5 where the ordinate is the projected density of states (PDOS) with the unit of a.u. Figure 1It is the spin-up and spin-down density of states curves of each atom in Fe2O3 at different energies. It can be seen that at an energy of 0 eV, i.e., the energy near the Fermi level, the energies of the up-spin and down-spin of the atoms are not equal. In particular, the energy of the down-spin of the Fe atom is greater than the energy of the up-spin of the Fe atom. Figure 2 It is the spin-up and spin-down density of states curves of each atom in NdFeB at different energies. It can be seen that at an energy of 0 eV, i.e., the energy near the Fermi level, the energies of the up-spin and down-spin of the atoms are not equal. In particular, the energy of the down-spin of the O atom is greater than the energy of the up-spin of the Fe atom. Figure 3 It is the spin-up and spin-down density of states curves of each atom in dual-phase material 1 at different energies. It can be seen that at an energy of 0 eV, i.e., the energy near the Fermi level, the energies of the up-spin and down-spin of the atoms are not equal. In particular, the energy of the down-spin of the Fe atom is greater than the energy of the up-spin of the Fe atom. Figure 4 It is the spin-up and spin-down density of states curves of each atom in dual-phase material 2 at different energies. It can be seen that at an energy of 0 eV, i.e., the energy near the Fermi level, the energies of the up-spin and down-spin of the atoms are not equal. In particular, the energy of the down-spin of the Fe atom is greater than the energy of the up-spin of the Fe atom. Figure 5 It is the spin-up and spin-down density of states curves of each atom in dual-phase material 3 at different energies. It can be seen that at an energy of 0 eV, i.e., the energy near the Fermi level, the energies of the up-spin and down-spin of the atoms are not equal. In particular, the energy of the down-spin of the Fe atom is greater than the energy of the up-spin of the Fe atom.

[0028] Figure 6 It is the schematic diagram of the spin-down density of states of Fe2O3. There are 24 Fe atoms and 32 O atoms in one unit cell of Fe2O3. Figure 6 In it, the pink atoms are O atoms, the blue atoms are Fe atoms, and the yellow area is the density of states area. Figure 7 It is the schematic diagram of the spin-up density of states of Fe2O3. There are 24 Fe atoms and 32 O atoms in one unit cell of Fe2O3. Figure 7 In it, the pink atoms are O atoms, the blue atoms are Fe atoms, and the yellow area is the density of states area. Figure 8 It is the schematic diagram of the spin-down density of states of NdFeB. There are 8 Nd atoms, 56 Fe atoms, and 4 B atoms in one unit cell of NdFeB. Figure 8 In it, the gray atoms are Nd atoms, the blue atoms are Fe atoms, the magenta atoms are B atoms, and the yellow area is the density of states area. Figure 9 It is the schematic diagram of the spin-up density of states of NdFeB. There are 8 Nd atoms, 56 Fe atoms, and 4 B atoms in one unit cell of NdFeB. Figure 9 In it, the gray atoms are Nd atoms, the blue atoms are Fe atoms, the magenta atoms are B atoms, and the yellow area is the density of states area.

[0029] Figure 10 Schematic diagram of the spin-down state density of the dual-phase material 1, where there are 38 Fe atoms, 16 O atoms, 3 Nd atoms, and 2 B atoms in one unit cell after coupling. Figure 10 Among them, the gray atoms are Nd atoms, the blue atoms are Fe atoms, the pink atoms are O atoms, the magenta atoms are B atoms, and the yellow area is the state density area. Figure 11 Schematic diagram of the spin-up state density of the dual-phase material 1, where there are 38 Fe atoms, 16 O atoms, 3 Nd atoms, and 2 B atoms in one unit cell after coupling. Figure 11 Among them, the gray atoms are Nd atoms, the blue atoms are Fe atoms, the pink atoms are O atoms, the magenta atoms are B atoms, and the yellow area is the state density area. Figure 12 Schematic diagram of the spin-down state density of the dual-phase material 2, where there are 40 Fe atoms, 16 O atoms, 3 Nd atoms, and 2 B atoms in one unit cell after coupling. Figure 12 Among them, the gray atoms are Nd atoms, the blue atoms are Fe atoms, the pink atoms are O atoms, the magenta atoms are B atoms, and the yellow area is the state density area. Figure 13 Schematic diagram of the spin-up state density of the dual-phase material 2, where there are 40 Fe atoms, 16 O atoms, 3 Nd atoms, and 2 B atoms in one unit cell after coupling. Figure 13 Among them, the gray atoms are Nd atoms, the blue atoms are Fe atoms, the pink atoms are O atoms, the magenta atoms are B atoms, and the yellow area is the state density area. Figure 14 Schematic diagram of the spin-down state density of the dual-phase material 3, where there are 44 Fe atoms, 24 O atoms, 3 Nd atoms, and 2 B atoms in one unit cell after coupling. Figure 14 Among them, the gray atoms are Nd atoms, the blue atoms are Fe atoms, the pink atoms are O atoms, the magenta atoms are B atoms, and the yellow area is the state density area. Figure 15 Schematic diagram of the spin-up state density of the dual-phase material 3, where there are 44 Fe atoms, 24 O atoms, 3 Nd atoms, and 2 B atoms in one unit cell after coupling. Figure 15 Among them, the gray atoms are Nd atoms, the blue atoms are Fe atoms, the pink atoms are O atoms, the magenta atoms are B atoms, and the yellow area is the state density area.

[0030] It can be seen that the number of Fe atoms and O atoms in the dual-phase material 1, dual-phase material 2, and dual-phase material 3 all increase. The number of Fe atoms is 38, 40, and 44 respectively, and the number of O atoms is 16, 16, and 24 respectively. This is because the increase in the number of Fe2O3 layers affects the structure, composition, and electron spin characteristics of the heterojunction, thereby affecting its magnetic properties.

[0031] The density of states of the spin characteristics of different heterojunctions can be calculated to obtain that the density of states of dual-phase material 1, dual-phase material 2, and dual-phase material 3 is higher than that of single-phase Fe2O3 and single-phase NdFeB. Therefore, it is theoretically verified that the magnetic properties of the dual-phase composite magnetic material are superior to those of the single-phase material. Among dual-phase material 1, dual-phase material 2, and dual-phase material 3, the energy level difference between the spin-up and spin-down at the Fermi level of dual-phase material 3 is the largest, so its magnetic properties are the best. This theoretical calculation method can provide a theoretical basis for the design and adjustment of future heterojunction magnetic materials.

[0032] Based on the same inventive concept, another embodiment of the present invention provides a device for calculating the electron spin state of an iron-based dual-phase composite magnetic material. This device corresponds to the method of the foregoing embodiment. The device includes: A building unit for building a heterojunction model of the dual-phase composite magnetic material; An optimization unit for using the generalized gradient approximation in density functional theory as the exchange-correlation functional to relax the atomic positions in the heterojunction model to minimize the total energy of the system, thereby optimizing the geometric structure of the heterojunction model; An analysis unit for performing spin polarization calculations on the optimized heterojunction model to obtain the spin-up density of states and spin-down density of states of different atoms in the heterojunction model, and analyzing the electron state distribution near the Fermi level; An evaluation unit for quantitatively evaluating the magnetic properties of the heterojunction model according to the spin-up density of states and spin-down density of states of each atom.

[0033] In summary, a method and device for calculating the electron spin state of an iron-based dual-phase composite magnetic material proposed by the present invention provide an innovative solution in the research field of dual-phase composite magnetic materials. Due to the complex magnetic coupling characteristics of the soft and hard phase interfaces, it is often difficult to analyze the magnetic origin of dual-phase composite magnetic materials through a single experimental method. By comparing the electron spin state density distributions of single-phase soft magnetic materials, single-phase hard magnetic materials, and dual-phase composite magnetic materials, the present invention reveals the magnetic enhancement mechanism at the interface. The research results not only help to understand the magnetic interaction at the soft and hard phase interfaces but also provide guidance for further optimizing the magnetic properties of dual-phase composite magnetic materials.

[0034] Other embodiments of the present invention will be readily apparent to those skilled in the art upon consideration of the specification and practice of the embodiments disclosed herein. The present invention is intended to cover any variations, uses, or adaptations of the invention following the general principles of the invention and including known common knowledge or conventional technical means in the technical field not disclosed by the present invention. It should be understood that the present invention is not limited to the exact structures described above and shown in the drawings, and various modifications and changes can be made without departing from its scope. The scope of the present invention is only limited by the appended claims.

Claims

1. A calculation method for the electronic spin state of an iron-based dual-phase composite magnetic material, characterized in that Including: Establishing a heterojunction model of a dual-phase composite magnetic material; Using the generalized gradient approximation in density functional theory as the exchange-correlation functional to relax the atomic positions in the heterojunction model to minimize the total energy of the system, thereby optimizing the geometric structure of the heterojunction model; Performing spin polarization calculations on the optimized heterojunction model to obtain the spin-up and spin-down state densities of different atoms in the heterojunction model, and analyzing the electron state distribution near the Fermi level; Quantitatively evaluating the magnetic properties of the heterojunction model based on the spin-up and spin-down state densities of each atom.

2. The calculation method of the electronic spin state of the iron-based dual-phase composite magnetic material according to claim 1, characterized in that, The dual-phase composite magnetic material is composed of a soft magnetic material and a hard magnetic material.

3. The calculation method of the electronic spin state of the iron-based dual-phase composite magnetic material according to claim 2, characterized in that, The soft magnetic material includes iron oxide, silicon steel, iron-nickel alloy or iron-silicon-aluminum alloy, and the hard magnetic material includes neodymium iron boron or samarium cobalt.

4. The calculation method of the electronic spin state of the iron-based dual-phase composite magnetic material according to claim 3, wherein The dual-phase composite magnetic material is composed of iron oxide and neodymium iron boron.

5. The calculation method of the electronic spin state of the iron-based dual-phase composite magnetic material according to claim 4, characterized in that In the heterojunction model, the [101] crystal plane of the iron oxide is docked with the [101] crystal plane of the neodymium iron boron.

6. The calculation method of the electronic spin state of the iron-based dual-phase composite magnetic material according to claim 5, characterized in that, In the dual-phase composite magnetic material, the ratio of iron oxide to neodymium iron boron is 1:

3.

7. The calculation method of the electronic spin state of the iron-based dual-phase composite magnetic material according to claim 5, characterized in that, In the dual-phase composite magnetic material, the ratio of iron oxide to neodymium iron boron is 3:

3.

8. The calculation method of the electronic spin state of the iron-based dual-phase composite magnetic material according to claim 5, characterized in that, In the dual-phase composite magnetic material, the ratio of iron oxide to neodymium iron boron is 5:

3.

9. The calculation method of the electronic spin state of the iron-based dual-phase composite magnetic material according to claim 1, characterized in that, The dual-phase composite magnetic material is applied to the iron core of a magnetic control reactor.

10. A computing device for the electronic spin state of an iron-based dual-phase composite magnetic material, characterized in that, Including: A establishing unit for establishing a heterojunction model of a dual-phase composite magnetic material; An optimizing unit for using the generalized gradient approximation in density functional theory as the exchange-correlation functional to relax the atomic positions in the heterojunction model to minimize the total energy of the system, thereby optimizing the geometric structure of the heterojunction model; An analyzing unit for performing spin polarization calculations on the optimized heterojunction model to obtain the spin-up and spin-down state densities of different atoms in the heterojunction model, and analyzing the electron state distribution near the Fermi level; An evaluating unit for quantitatively evaluating the magnetic properties of the heterojunction model based on the spin-up and spin-down state densities of each atom.

Images