Magnetocrystalline anisotropy of Co3Si (001) films from first principles

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

Research output: Contribution to journalArticle

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.

Original languageEnglish (US)
Article number035128
JournalAIP Advances
Volume9
Issue number3
DOIs
StatePublished - Mar 1 2019

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magnetic materials
anisotropy
thin films
coercivity
density functional theory
electronic structure
magnetic properties
nanoparticles
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Magnetocrystalline anisotropy of Co3Si (001) films from first principles. / Pathak, Rohit; Balasubramanian, Balamurugan; Sellmyer, D. J.; Skomski, Ralph; Kashyap, Arti.

In: AIP Advances, Vol. 9, No. 3, 035128, 01.03.2019.

Research output: Contribution to journalArticle

Pathak, R, Balasubramanian, B, Sellmyer, DJ, Skomski, R & Kashyap, A 2019, 'Magnetocrystalline anisotropy of Co3Si (001) films from first principles', AIP Advances, vol. 9, no. 3, 035128. https://doi.org/10.1063/1.5079851
Pathak, Rohit ; Balasubramanian, Balamurugan ; Sellmyer, D. J. ; Skomski, Ralph ; Kashyap, Arti. / Magnetocrystalline anisotropy of Co3Si (001) films from first principles. In: AIP Advances. 2019 ; Vol. 9, No. 3.
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