Open AccessNoncollinear magnetic order and spin-orbit coupling effect in (FeCr)n alloying clusters
Author(s) -
张宝龙,
王东红,
杨致,
刘瑞萍,
李秀燕
Publication year - 2013
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.62.143601
Subject(s) - antiferromagnetism , condensed matter physics , magnetic moment , cluster (spacecraft) , atom (system on chip) , ground state , coupling (piping) , transition metal , inductive coupling , density functional theory , spin–orbit interaction , materials science , magnetic structure , spin (aerodynamics) , physics , atomic physics , magnetic field , magnetization , chemistry , metallurgy , thermodynamics , biochemistry , quantum mechanics , computer science , embedded system , programming language , catalysis
Using density functional theory, the structures, stabilities and magnetic properties of (FeCr)n (n≤ 6) alloying clusters are systematically investigated. For smaller clusters with n≤3, the results show that the ground-state system possesses collinear antiferromagnetic order. For n≥4 cases, however, the ground-state cluster has noncollinear magnetic order. Therefore, there is a collinear-to-noncollinear magnetic transition at n=4 in (FeCr)n systems. In addition, although the spin-orbit coupling effect of 3d transition metal atom is often weak, the results indicate that the orbital magnetic moments of some certain clusters are significant and important. Finally, the chemical bond of noncollinear magnetic clusters and the physical origin of the magnetic transition are analyzed.