Magnetocrystalline anisotropy of Co3Si (001) films from first principles

Rohit Pathak, Balamurugan Balasubramanian, D. J. Sellmyer, Ralph Skomski, Arti Kashyap

Research output: Contribution to journalArticlepeer-review


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.

Original languageEnglish (US)
Article number035128
JournalAIP Advances
Issue number3
StatePublished - Mar 1 2019

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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