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조이현(L. H. Cho),김인기(I. G. Kim),이재일(J. I. Lee),장영록(Y. R. Jang),박인호(I. H. Park),최성을(S. E. Choi),권명희(M. H. Kwon) 한국자기학회 1999 韓國磁氣學會誌 Vol.9 No.3
The magnetism and electronic structure of Ru monolayer with square lattice is investigated using the FLAPW band method. The dependence of total energies on the lattice constant was calculated for three magnetic states, i.e., para-, ferro-, and antiferromagnetic ones. It was found that there is no energy difference between para- and antiferromagnetic states for all the lattice constant. The possibility of antiferromagnetism in square Ru monolayer is thus excluded. The ferromagnetic state is most stable for the lattice constants greater than 7.30 a.u. The energy minimum is found at the lattice constant of 6.53 a.u. where it is paramagnetic. It is calculated that the magnetic moment is 2.49 μ_B at 7.72 a.u., which is close to the lattice constant of Ag. The magnetic moment is almost saturated to be 2.57 μ_B at the lattice constant of 7.86 a.u.
The Electronic Structure and Magnetism of bcc Rh(001) Surface
조이현(L.H. Cho),B. Bialek,이재일(J. I. Lee) 한국자기학회 2008 韓國磁氣學會誌 Vol.18 No.6
According to the recent reports the bulk bcc Rh is ferromagnetic with a small difference of energy compared to paramagnetic state. In this study, the electronic structure and magnetism for bcc Rh(001) surface are investigated by means of the all-electron full potential linearized augmented plane wave method within the generalized gradient approximation. It is found that the surface ferromagnetic state is preferable over the paramagnetic one. For unrelaxed system, the magnetic moment of the surface layer, 0.48 μ<SUB>B</SUB>, is slightly increased comparing with the bulk value, 0.41 μ<SUB>B</SUB> while the value of the subsurface layer, 0.23 μ<SUB>B</SUB>, is much smaller than the bulk value. The total energy and atomic force calculations show that the surface layer is relaxed downward and the subsurface layer moves upward to reduce the layer distance between the surface and subsurface layers by 7.0 %. The relaxation effect leads to weakening the surface magnetic properties. Specifically, the value of the magnetic moment of the surface atom is decreased to 0.36 μ<SUB>B</SUB>. Since the spin polarization of the subsurface layer is only 0.14 μ<SUB>B</SUB>, it is concluded that the bcc Rh(001) surface is rather weakly ferromagnetic.