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• W1987680315 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/m3 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." @default.
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• W1987680315 date "2011-04-01" @default.
• W1987680315 modified "2023-10-09" @default.
• W1987680315 title "Anisotropy of zigzag chains of palladium" @default.
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• W1987680315 doi "https://doi.org/10.1063/1.3559505" @default.
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