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

Ruqian Wu, Lujun Chen, A. J. Freeman*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

42 Scopus citations


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 (US)
Pages (from-to)103-109
Number of pages7
JournalJournal of Magnetism and Magnetic Materials
Issue number1-2
StatePublished - Jun 1997


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

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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