Abstract
The creation and control of magnetocrystalline anisotropy in bulk and nanostructured magnetic materials remain a continuing challenge, and density functional theory assists the experimental research in developing new high-anisotropy magnetic materials. Co3Si, which crystallizes in the hexagonal CdMg3 structure (space group P63/mmc), is an intriguing magnetic material. For example, Co3Si nanoparticles exhibit high coercivities (17.4 kOe at 10 K and 4.3 kOe at 300 K) in spite of having an easy-plane anisotropy. Here, we used the Vienna ab-initio Simulation Package (VASP) to investigate the electronic structure and magnetic properties of bulk and thin-film Co3Si. We have also studied the thickness dependence of the magnetocrystalline anisotropy of Co3Si (001) thin films.
Highlights
Magnetic materials having unidirectional magnetocrystalline anisotropy (MCA) find several important industrial applications such as in transformers, motors, data storage, and magnetic-field sensor technologies and many more depending upon their soft and hard magnetic properties
The PMA materials have been used in high-density data storage technology, while materials having in-plane magnetic anisotropy are becoming increasingly important for applications in the fast-growing field of spintronics
The density of state (DOS) shows an asymmetry between the majority and minority spin channels, which implies the presence of exchange splitting in the system and the magnetic nature
Summary
Magnetic materials having unidirectional magnetocrystalline anisotropy (MCA) find several important industrial applications such as in transformers, motors, data storage, and magnetic-field sensor technologies and many more depending upon their soft and hard magnetic properties. Depending upon the orientation of magnetization direction with respect to crystal structure the magnetic materials are classified as perpendicular anisotropy (PMA) materials and in-plane magnetic anisotropic materials. The PMA materials have been used in high-density data storage technology, while materials having in-plane magnetic anisotropy are becoming increasingly important for applications in the fast-growing field of spintronics.. Magnetocrystalline anisotropy, which has its origin in spinorbit coupling and reflects the crystal symmetry, accounts for the volume contribution in crystalline materials and for the interface contribution.. The PMA materials have been used in high-density data storage technology, while materials having in-plane magnetic anisotropy are becoming increasingly important for applications in the fast-growing field of spintronics. The need for high data storage density initially produced immense interest in magnetic anisotropy of thin films, and recently due to renewed interest in magneto-optic sensor technology and spintronics it has become important to explore thin films which exhibit strong and tunable in-plane magnetic anisotropy.
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