Information processing device, analysis method, and analysis program

Abstract

To improve the accuracy of calculating the Curie temperature for each particle size. [Solution] The information processing device includes a setting unit that acquires particle structure information showing the structure of magnetic nanoparticles, a first exchange interaction acting between adjacent atoms of the same type within the magnetic nanoparticles, and a second exchange interaction acting between atoms of the same type when atoms of different types are placed between them within the magnetic nanoparticles, and sets up a magnetic calculation model; a calculation unit that calculates the Curie temperature by calculating the magnetization at each temperature using the set magnetic calculation model; and an output unit that outputs the particle size of the magnetic nanoparticles included in the particle structure information and the calculated Curie temperature in correspondence.

Claims

1. A setting unit that acquires particle structure information showing the structure of magnetic nanoparticles, a first exchange interaction acting between adjacent atoms of the same type within the magnetic nanoparticles, and a second exchange interaction acting between atoms of the same type when different types of atoms are positioned between them within the magnetic nanoparticles, and sets up a magnetic calculation model. A calculation unit that calculates the Curie temperature by calculating the magnetization at each temperature using the set magnetic calculation model, An output unit that outputs the particle size of the magnetic nanoparticles included in the particle structure information and the calculated Curie temperature in correspondence. An information processing device having

2. The information processing apparatus according to claim 1, wherein the particle structure information further includes atomic arrangement information indicating the arrangement of atoms contained in the magnetic nanoparticles.

3. The setting unit is, As the first exchange interaction, we obtain the exchange interaction that acts between adjacent atoms in the same plane among the atoms arranged based on the atomic arrangement information. The information processing apparatus according to claim 2, wherein, as the second exchange interaction, an exchange interaction is obtained between atoms of the same type acting in directions perpendicular to the coplane, among atoms arranged based on the atomic arrangement information.

4. When the setting unit sequentially sets up multiple magnetic calculation models in which the particle sizes of the magnetic nanoparticles differ from each other, and the calculation unit sequentially calculates the Curie temperature, the output unit calculates a range of Curie temperatures corresponding to a predetermined range of particle sizes. The information processing apparatus according to claim 1.

5. The information processing apparatus according to claim 4, wherein the output unit outputs a graph showing the relationship between the particle sizes of the plurality of magnetic nanoparticles and the calculated plurality of Curie temperatures.

6. The information processing apparatus according to claim 5, wherein the output unit outputs the range of particle size and the range of Curie temperature superimposed on the graph.

7. The information processing apparatus according to claim 4, wherein the range of particle sizes is determined based on the median particle size and the variance value.

8. The information processing apparatus according to claim 1, wherein the magnetic nanoparticles are FePt magnetic nanoparticles.

9. The information processing apparatus according to claim 8, wherein the first exchange interaction is an exchange interaction acting between Fe atoms, and the second exchange interaction is an exchange interaction acting between Fe atoms with a Pt atom positioned between them.

10. The information processing apparatus according to claim 1, wherein the first exchange interaction and the second exchange interaction are calculated by first-principles calculations.

11. Computers A process of obtaining particle structure information showing the structure of magnetic nanoparticles, a first exchange interaction acting between adjacent atoms of the same type within the magnetic nanoparticles, and a second exchange interaction acting between atoms of the same type when different types of atoms are positioned between them within the magnetic nanoparticles, and setting up a magnetic calculation model. The process of calculating the Curie temperature by calculating the magnetization at each temperature using the set magnetic calculation model, A step of outputting the particle size of the magnetic nanoparticles included in the particle structure information and the calculated Curie temperature in correspondence. An analysis method to perform this task.

12. On the computer, A process of obtaining particle structure information showing the structure of magnetic nanoparticles, a first exchange interaction acting between adjacent atoms of the same type within the magnetic nanoparticles, and a second exchange interaction acting between atoms of the same type when different types of atoms are positioned between them within the magnetic nanoparticles, and setting up a magnetic calculation model. The process of calculating the Curie temperature by calculating the magnetization at each temperature using the set magnetic calculation model, A step of outputting the particle size of the magnetic nanoparticles included in the particle structure information and the calculated Curie temperature in correspondence. An analysis program that executes the necessary steps.

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