First principles determination of magnetostriction in bulk transition metals and thin films

Ruqian Wu, Lujun Chen, Arthur J Freeman

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

The magnetostriction coefficients (λ001) of bulk magnetic transition metals (BCC Fe, FCC Co and Ni) and overlayers (Co/Cu(0 0 1) and Co/Pd(0 0 1)) are directly calculated from first principles using the local density full potential linearized augmented plane wave method. The essential ingredient that permits this determination is our finding that the magneto-crystalline anisotropy is a linear function of the lattice strain when computed with the new precise state tracking and torque approaches. The calculated bulk λ001 values agree well with experiment, which appears to validate the present approach for determining the tiny magnetostriction in transition metal systems. Interestingly, the calculated λ001 at the Co/Cu(0 0 1) and Co/Pd(0 0 1) interfaces differ in sign and magnitude (-5.7 × 10-5 and +2.3 × 10-4, respectively) with the different hybridization between the Co-dxz,yz and the underlying substrate d states playing the key role.

Original languageEnglish
Pages (from-to)103-109
Number of pages7
JournalJournal of Magnetism and Magnetic Materials
Volume170
Issue number1-2
Publication statusPublished - Jun 1997

Fingerprint

Magnetostriction
magnetostriction
metal films
Transition metals
transition metals
magnetic metals
Thin films
thin films
ingredients
Crystal lattices
torque
plane waves
Anisotropy
Torque
Crystalline materials
anisotropy
Substrates
coefficients
Experiments

Keywords

  • Augmented plane wave method
  • Bulk transition metals
  • Magnetostriction
  • Thin films

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

First principles determination of magnetostriction in bulk transition metals and thin films. / Wu, Ruqian; Chen, Lujun; Freeman, Arthur J.

In: Journal of Magnetism and Magnetic Materials, Vol. 170, No. 1-2, 06.1997, p. 103-109.

Research output: Contribution to journalArticle

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