Anisotropy of zigzag chains of palladium

P. K. Sahota, R. Skomski, A. Enders, David J Sellmyer, A. Kashyap

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Ab initio calculations of the biaxial anisotropy of infinite Pd zigzag chains are presented. The simulations were performed with the Vienna Ab-Initio Simulation Package, using a tetragonal unit cell with a supercell approach where the atoms are repeated along the z-direction. The anisotropy is determined from the energies along the three principal directions [001], [100], and [010]. The second-order anisotropy constants K1 and K1 ′ were extracted by fitting the calculated energy values to the phenomenological energy. The easiest magnetization direction is along the wire axis, whereas the hardest direction is perpendicular to the plane of the wire. The calculated anisotropy constants K1 and K1 ′ are 5.5 MJ/m 3 and -13.9 MJ/m3, respectively These anisotropies are large, but they are smaller than those of linear chains, because the zigzag shape leads to a quenched orbital moment.

Original languageEnglish (US)
Article number07E322
JournalJournal of Applied Physics
Volume109
Issue number7
DOIs
StatePublished - Apr 1 2011

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palladium
anisotropy
wire
energy
simulation
moments
orbitals
magnetization
cells
atoms

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Sahota, P. K., Skomski, R., Enders, A., Sellmyer, D. J., & Kashyap, A. (2011). Anisotropy of zigzag chains of palladium. Journal of Applied Physics, 109(7), [07E322]. https://doi.org/10.1063/1.3559505

Anisotropy of zigzag chains of palladium. / Sahota, P. K.; Skomski, R.; Enders, A.; Sellmyer, David J; Kashyap, A.

In: Journal of Applied Physics, Vol. 109, No. 7, 07E322, 01.04.2011.

Research output: Contribution to journalArticle

Sahota, PK, Skomski, R, Enders, A, Sellmyer, DJ & Kashyap, A 2011, 'Anisotropy of zigzag chains of palladium', Journal of Applied Physics, vol. 109, no. 7, 07E322. https://doi.org/10.1063/1.3559505
Sahota, P. K. ; Skomski, R. ; Enders, A. ; Sellmyer, David J ; Kashyap, A. / Anisotropy of zigzag chains of palladium. In: Journal of Applied Physics. 2011 ; Vol. 109, No. 7.
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