Structural, electronic, and magnetic properties of Co: Evidence for magnetism-stabilizing structure.
作者： B. I. Min , T. Oguchi , A. J. Freeman
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摘要: Total-energy local-spin-density energy-band calculations are employed to study the different structural phases (hcp, fcc, and bcc) magnetic states of Co metal as a function volume. In paramagnetic state, fcc phase is lowest in energy with order stabilizing hcp (observed) ground state. Unlike case Mn, Cr, Fe which have stable antiferromagnetic phase, ferromagnetic state most for all three Co.
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R. Walmsley, J. Thompson, D. Friedman, R. White, T. Geballe, Compositionally modulated Co-Cr films-a new Co phase IEEE Transactions on Magnetics. ,vol. 19, pp. 1992- 1994 ,(1983) , 10.1109/TMAG.1983.1062688
G. A. Prinz, Stabilization of bcc Co via epitaxial growth on GaAs. Physical Review Letters. ,vol. 54, pp. 1051- 1054 ,(1985) , 10.1103/PHYSREVLETT.54.1051
P. Hohenberg, W. Kohn, Inhomogeneous Electron Gas Physical Review. ,vol. 136, pp. 864- 871 ,(1964) , 10.1103/PHYSREV.136.B864
W. Kohn, L. J. Sham, Self-Consistent Equations Including Exchange and Correlation Effects Physical Review. ,vol. 140, pp. 1133- 1142 ,(1965) , 10.1103/PHYSREV.140.A1133
O. Gunnarsson, B. I. Lundqvist, Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism Physical Review B. ,vol. 13, pp. 4274- 4298 ,(1976) , 10.1103/PHYSREVB.13.4274
J.F. Janak, Itinerant ferromagnetism in fcc cobalt Solid State Communications. ,vol. 25, pp. 53- 55 ,(1978) , 10.1016/0038-1098(78)90354-X
N I Kulikov, E T Kulatov, Electronic band structure, Fermi surface and optical properties of cobalt under pressure Journal of Physics F: Metal Physics. ,vol. 12, pp. 2267- 2289 ,(1982) , 10.1088/0305-4608/12/10/019
P.M. Marcus, V.L. Moruzzi, Equilibrium properties of the cubic phases of cobalt Solid State Communications. ,vol. 55, pp. 971- 975 ,(1985) , 10.1016/0038-1098(85)90569-1
F. Herman, P. Lambin, O. Jepsen, Electronic and magnetic structure of ultrathin cobalt-chromium superlattices. Physical Review B. ,vol. 31, pp. 4394- 4402 ,(1985) , 10.1103/PHYSREVB.31.4394
V.L. Moruzzi, P.M. Marcus, K. Schwarz, P. Mohn, Total energy surfaces in the M-V plane for bcc and fcc cobalt Journal of Magnetism and Magnetic Materials. ,vol. 54, pp. 955- 956 ,(1986) , 10.1016/0304-8853(86)90331-8