首页> 外文期刊>Chemical Physics: A Journal Devoted to Experimental and Theoretical Research Involving Problems of Both a Chemical and Physical Nature >Spin-orbit coupling in the double exchange model 2. Comparison of the antisymmetric double exchange with the Dzialoshinsky-Moriya antisymmetric exchange, spin canting and ZFS
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Spin-orbit coupling in the double exchange model 2. Comparison of the antisymmetric double exchange with the Dzialoshinsky-Moriya antisymmetric exchange, spin canting and ZFS

机译:双交换模型中的自旋-轨道耦合2.反对称双交换与Dzialoshinsky-Moriya反对称交换,自旋倾斜和ZFS的比较

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摘要

The Dzialoshinsky-Moriya (D-M) antisymmetric exchange interaction is considered and compared with antisymmetric (AS) double exchange in the mixed-valence [Fe(II)Fe(III)] clusters. It is shown that the antisymmetric double exchange interaction (H-lX = iK(X)[((S) over cap (aX)-(S) over cap (bX))(T) over cap (ab) + (T) over cap (ab)((S) over capb(X)-(S) over cap (aX))]) is stronger than the D-M exchange interaction (H-DM(X) = G(X)[(S) over right arrow (a) x (S) over right arrow (b)](X)) in the valence-delocalized [Fe2.5+ Fe2.5+] cluster with strong double exchange, K-X/G(X) = -5B/2J, K-X G(X). The mixing of the ground valence-delocalized state Phi(0)(-) (S 9/2, M) with the first excited Phi(0)(-) (7/2, M') state (S' = S-1) of the same parity depends on both the AS double exchange and D-M exchange. In the valence-delocalized cluster, the admixture of the excited double exchange states to the ground valence-delocalized state Phi(0)(-) (S = 9/2) by the AS double exchange and D-M exchange results in non-zero expectation values of the local spins < S-aY > = -< S-bY > in Y-direction, that leads to the canting of the spins in the plane (YZ) perpendicular to the direction of the vectors K-X of the antisymmetric double exchange and G(X) of the D-M exchange. In the valence-delocalized S-gr = (9/2)(deloc) state, the deviations of spins from the parallel alignment, anisotropy of hyperfine (internal) fields on the Fe nuclei, anisotropy of the hyperfine constants depend on the parameters K-X, G(X), B and J. The spin canting induced by the AS double exchange and D-M exchange in the valence-delocalized [Fe2.5+FC2.5+] cluster (Sr = (9/2)(deloc)) is larger than the spin canting induced by the D-M exchange in the ferromagnetic localized [Fe(II)-Fe(III)](loc) cluster (S-gr = (9/2)(loc)). The mixing of the double exchange levels results in the antisymmetric double exchange and D-M exchange contributions to the ZFS parameters of the ground valence-delocalized state S-gr = (9/2)(deloc). (c) 2006 Elsevier B.V. All rights reserved.
机译:考虑了Dzialoshinsky-Moriya(D-M)反对称交换相互作用,并将其与混合价[Fe(II)Fe(III)]簇中的反对称(AS)双重交换进行了比较。证明了反对称双交换相互作用(H-lX = iK(X)[((S)超过帽子(aX)-(S)超过帽子(bX))(T)超过帽子(ab)+(T)超出上限(ab)((S)超过上限(x)-(S)超过上限(aX))])比DM交换互动(H-DM(X)= G(X)[(S)over在价位离域的[Fe2.5 + Fe2.5 +]簇中具有强双交换的右箭头(a)x(S),右箭头(b)](X)),KX / G(X)= -5B / 2J,KX G(X)。基价离域态Phi(0)(-)(S 9/2,M)与第一激发Phi(0)(-)(7/2,M')状态的混合(S'= S- 1)相同的奇偶校验取决于AS双重交换和DM交换。在价离域簇中,通过AS双向交换和DM交换,激发的双交换态与基价离域态Phi(0)(-)(S = 9/2)的混合导致非零期望Y方向上局部自旋 =-的值,这导致自旋在垂直于反对称双交换和向量KX方向的平面(YZ)中倾斜DM交换的G(X)。在价离域S-gr =(9/2)(deloc)状态下,自旋与平行排列的偏离,Fe核上超精细(内部)场的各向异性,超精细常数的各向异性取决于参数KX ,G(X),B和J。由价双离化[Fe2.5 + FC2.5 +]簇中的AS双交换和DM交换引起的自旋倾斜(Sr =(9/2)(deloc))大于在铁磁局部[Fe(II)-Fe(III)](loc)簇中(S-gr =(9/2)(loc))DM交换引起的自旋倾斜。双重交换水平的混合导致反对称的双重交换和D-M交换对基价离域态S-gr =(9/2)(deloc)的ZFS参数的贡献。 (c)2006 Elsevier B.V.保留所有权利。

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