Научная электронная библиотека ULRICH'S Periodicals Directory

Сибирский государственный университет
науки и технологий имени академика М.Ф. Решетнева

Сибирский аэрокосмический журнал
ISSN 2712-8970 (Print) ISSN 2782-5760 (on-line)

Сведения об образовательной организации

UDK 537.622.4 Doi: 10.31772/2712-8970-2021-22-3-526-535
Magnetic characteristics of iron nanoclusters
Kveglis L. I., Makarov I. N., Noskov F. M., Nasibullin R. T., Nyavro A. V., Cherepanov A. N., Olekhnovich A. E., Saprykin D. N.
Siberian Federal University, 79, Svobodny Av., Krasnoyarsk, 660041, Russian Federation; Tomsk State University, 36, Lenin Av., Tomsk, 634050, Russian Federation; East Kazakhstan University named after S. Amanzholov, 55, Kazakhstan St., Ust-Kamenogorsk, 070004, Republic of Kazakhstan
The study of the nanocrystalline state, which significantly changes most of the physical characteristics of sub-stances, is very relevant. Of great practical interest are the works devoted to the study of the magnetic character-istics of nanocrystals of ferromagnetic substances. It has already been shown that the size of iron nanocrystals significantly affects the magnitude of their magnetization. Nevertheless, an adequate model of the structure of nanocrystalline formations consisting of a different number of iron atoms, which allows us to describe the ex-perimentally detected changes in the magnetic characteristics, has not yet been presented. In this paper, we analyze nanocrystalline iron clusters that are different in configuration and number of their constituent atoms. Spatial models of clusters are constructed using a three-dimensional modeling program, and the coordinates of individual atoms in the cluster are determined. The proposed structures of nanocrystals are based on tetrahedrally close-packed cluster assemblies of iron atoms. The electron state density spectra were con-structed for the proposed clusters. For this purpose, the theory of the electron density functional was used, the calculation was carried out by the method of scattered waves in accordance with the band theory of crystals. It is shown that the appearance of magnetization in tetrahedral densely packed cluster formations is associ-ated with the excited electronic states of the atoms located on the surface of the nanocluster. Excited atoms have an increased electron density, that is, electrons are able to transition to states with higher energy, approaching the Fermi energy. In this case, the Stoner criterion necessary for the occurrence of magnetization is fulfilled. The configurations of electrons with spin up and down differ, which is why uncompensated magnetic moments appear. It is confirmed that the proposed models of iron nanoclusters satisfactorily correspond to the known experimental data.
Keywords: iron nanocluster, tetrahedrally close-packed structures, magnetic properties.
References

1. Mir materialov i tekhnologiy. Nanomaterialy. Nanotekhnologii. Nanosistemnaya tekhnika : mirovye dostizheniya za 2005 g. [The world of materials and technologies. Nanomaterials. Nanotechnology. Nanosystem technology: world achievements in 2005: collection of articles] ed. P. P. Maltsev. Moscow, Tekhnosfera Publ., 2006, 149 p.

2. Billas I. M. L., Chatelain A., Walt A. H., Magnetism from the Atom to the Bulk in Iron, Cobalt, and Nickel Clusters. Science. 1994, Vol. 265, P. 5179. 10.1126/science.265.5179.1682.

3. Sundaresan A., Rao C. N. R. Ferromagnetism as a universal feature of inorganic nanoparticles. Nano Today. 2009, No. 4. Doi:10.1016/j.nantod.2008.10.002.

4. Venkatesan M., Fitzgerald C. B., Coey J. M. D. Nature.2004. Vol. 430, P. 630.

5. Hong N. H., Sakai J., Poirot N., Brize V. Phys. Rev. 2006. No. B 73. P. 132404.

6. Bul’yonkov N. A., Tytik D. L. [Modular design of icosahedral metal clusters]. Izv. AN: Ser Chemical. 2001, No. 1, P. 1–19 (In Russ.).

7. Kveglis L. I., Noskov F. M., Volochaev M. N., Nyavro A. V., Filarowski A. Magnetic Properties of Nickel-Titanium Alloy during Martensitic Transformations under Plastic and Elastic Deformation. Symmetry. 2021, No. 13(4), P. 665. https://doi.org/10.3390/sym13040665.

8. Trushin Yu. V. Fizicheskie osnovy materialovedeniya. T. 3. [Physical foundations of materials science. Volume 3]. SPb., Izd-vo Akadem. un-ta Publ., 2015, 356 p.

9. Hohenberg P., Kohn W. Inhomogeneous electron gas. Phys. Rev. 1964. No. B. 136, P. 864. https://doi.org/10.1103/PhysRev.136.B864.

10. Nyavro A. V. Evolyutsiya elektronnykh sostoyaniy: atom – molekula – klaster – kristall. [Evolution of Electronic States: atom – molecule – cluster – crystal]. Tomsk, Izdat. dom Tomskogo gos. un-ta Publ., 2013, 268 p.

11. Giannozzi P., Baroni S., Bonini N., Calandra M., Car R., Cavazzoni C., Wentzcovitch R. M., Quantum espresso: a modular and open-source software project for quantum simulations of materials. Journal of Physics: Condensed Matter. 2009, P. 21–39. 10.1088/0953-8984/21/39/395502.

12. Kraposhin V. S., Talis A. L., Demina E. D., Zaitsev A. I. [Crystal-geometric mechanism of spinel and manganese sulfide intergrowth into a complex non-metallic inclusion]. MiTOM. 2015, P. 4. (In Russ.).

13. Frank F. C., Kasper J. S. Complex alloy structures regarded as sphere packings. II. Analysis and classification of representative structures. Acta Crystall. 1959. Vol. 1, P. 483–499.

14. Kveglis L. I., Abylkalykova R. B., Noskov F. M., Arhipkin V. G., Musikhin V. A., Cherepanov V. N., Niavro A. V. Local electron structure and magnetization in β-Fe86Mn13C Superlattices and Microstructures. 2009. Vol. 46, No. 1–2, P. 114–120.

15. Lipscomb W. N. Framework rearrangement in boranes and carboranes. Science. 1966, Vol. 153(3734), P. 373-8. Doi: 10.1126/science.153.3734.373.

16. Bakir M., Jasiuk I. Novel Metal-Carbon Nanomaterials: A Review On Covetics. Advanced Materials Letters. 2017, No. 8, P. 884–890. 10.5185/amlett.2017.1598.

17. Tikadzumi S. Fizika ferromagnetizma. Magnitnye kharakteristiki i prakticheskie primeneniya [Physics of ferromagnetism. Magnetic characteristics and practical applications ]. Moscow, Mir Publ., 1987, 419 p.


Kveglis Lyudmila Iosifovna – Dr. Sc., Professor; Department of Materials Science and Technology of Materials Processing, Polytechnic Institute, Siberian Federal University. E-mail: kveglis@list.ru.

Makarov Ivan Nicolaevich – Student; Department of Materials Science and Technology of Materials Processing of the Polytechnic Institute, Siberian Federal University.

Noskov Fyodor Mikhailovich – Dr. Sc., Professor; Department of Materials Science and Technology of Materials Processing of the Polytechnic Institute, Siberian Federal University. E-mail: yesoono@yandex.ru.

Nasibullin Rinat Talgaevich – post-graduate student of the Department of Optics, Tosk State University.

Nyavro Alexander Vladislavovich – Cand. Sc., Associate Professor of the Department of Optics, Tosk State University.

Cherepanov Viktor Nikolaevich – Dr. Sc., Professor of the Department of Optics, Tosk State University.

Olekhnovich Alexander Igorevich – student of the Department of Optics, Tosk State University.

Saprykin Dmitry Nikolaevich – student of the Department of Physics; East Kazakhstan University named after
S. Amanzholova.


  Magnetic characteristics of iron nanoclusters