Magnetic and electronic properties of the nickel clusters Nin (n⩽30)
Tài liệu tham khảo
Erkoc, 2000, Molecular-dynamics simulations of nickel clusters, Int. J. Mod. Phys. C, 11, 1013, 10.1142/S0129183100000845
Xu, 2005, Magnetic moments and adiabatic magnetization of free cobalt clusters, Phys. Rev. Lett., 95, 10.1103/PhysRevLett.95.237209
Castro, 1997, Structure, bonding, and magnetism of small Fen, Con, and Nin clusters, n⩽5, Chem. Phys. Lett., 271, 133, 10.1016/S0009-2614(97)00420-X
Datta, 2011, Ab initio study of structural stability of small 3d late transition metal clusters: interplay of magnetization and hybridization, Phys. Rev. B, 84, 10.1103/PhysRevB.84.075429
Gong, 1993, Enhanced stability of magic clusters: a case study of icosahedral Al12 X, X=B, Al, Ga, C, Si, Ge, Ti, As, Phys. Rev. Lett., 70, 2078, 10.1103/PhysRevLett.70.2078
Billas, 1997, Magnetism of Fe, Co, and Ni clusters in molecular beams, J. Magn. Magn. Mater., 168, 64, 10.1016/S0304-8853(96)00694-4
Reuse, 1995, Geometry, electronic structure, and magnetism of small Nin (n=2–6, 8, 13) clusters, Chem. Phys. Lett., 234, 77, 10.1016/0009-2614(95)00012-S
Amarillas, 1996, Vibrational analysis of Nin clusters, Phys. Rev. B, 54, 10362, 10.1103/PhysRevB.54.10362
W. Song, W.C. Lu, Q.J. Zang, C.Z. Wang, K.M. Ho, Double icosahedron-based motif of Nin (n=20–30), Int. J. of Quant. Chem. (in press).
Kresse, 1993, Ab initio molecular dynamics for liquid metals, Phys. Rev. B, 47, 558, 10.1103/PhysRevB.47.558
Kresse, 1996, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set, Phys. Rev. B, 54, 11169, 10.1103/PhysRevB.54.11169