Possible magnetism of Rh as an overlayer on Cu(0 0 1): A first-principles study

C. S. Chang, L. H. Cho, J. I. Lee, Soon C. Hong, R. Wu, Arthur J Freeman

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Abstract

Possible two-dimensional magnetism of a Rh monolayer on the Cu(0 0 1) substrate was investigated using the full-potential linearized augmented plane-wave (FLAPW) method. The equilibrium interlayer distance between Rh and the adjacent Cu layer was determined through total-energy calculations (3.58 a.u.). We find that the Rh monolayer on Cu(0 0 1) can be magnetic, as suggested in a recent experiment. However, the total energy difference between the ferromagnetic (FM) and paramagnetic (PM) states is found to be very small and, hence, only observable at very low temperature. The calculated FM moment of Rh, 0.23 μB, on Cu(0 0 1), is considerably smaller than that (0.96 μB) on Ag(0 0 1) due to the much smaller lattice constant in the lateral plane and, hence, the stronger band hybridization between the Cu and Rh layers.

Original languageEnglish
Pages (from-to)1255-1256
Number of pages2
JournalJournal of Magnetism and Magnetic Materials
Volume177-181
Issue numberPART 2
Publication statusPublished - Jan 1998

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Keywords

  • Local spin-density approximation
  • Magnetic moment - calculated
  • Surface magnetism
  • Transition metal - surfaces

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Chang, C. S., Cho, L. H., Lee, J. I., Hong, S. C., Wu, R., & Freeman, A. J. (1998). Possible magnetism of Rh as an overlayer on Cu(0 0 1): A first-principles study. Journal of Magnetism and Magnetic Materials, 177-181(PART 2), 1255-1256.