TY - JOUR
T1 - Possible magnetism of Rh as an overlayer on Cu(0 0 1)
T2 - A first-principles study
AU - Chang, C. S.
AU - Cho, L. H.
AU - Lee, J. I.
AU - Hong, Soon C.
AU - Wu, R.
AU - Freeman, A. J.
N1 - Funding Information:
The work in Korea was supported in part by the Ministry of Science and Technology, the BSRt Program (96-2430, -2440), and by the KOSEF through SNU-CTP and work at Northwestern and CSUN supported by the ONR (Grants No. N00014-94-1-0030 and N00014-95-0489).
PY - 1998/1
Y1 - 1998/1
N2 - 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.
AB - 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.
KW - Local spin-density approximation
KW - Magnetic moment - calculated
KW - Surface magnetism
KW - Transition metal - surfaces
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U2 - 10.1016/S0304-8853(97)00893-7
DO - 10.1016/S0304-8853(97)00893-7
M3 - Article
AN - SCOPUS:17444443374
SN - 0304-8853
VL - 177-181
SP - 1255
EP - 1256
JO - Journal of Magnetism and Magnetic Materials
JF - Journal of Magnetism and Magnetic Materials
IS - PART 2
ER -