科研之友
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摘要
Using spin-polarized density functional calculations, we have studied the magnetic states including collinear and noncollinear magnetic coupling in bimetallic Co6-nMnn clusters. The ground state of Co6-nMnn clusters displays collinear magnetic ordering for n <= 3, whereas a magnetic transition to noncollinear ordering occurs at n = 4 and the noncollinear magnetic structure remains to be energetically favoured afterwards. Moreover, the total magnetic moment of Co6-nMnn increases with n by 2 mu(B) for n = 0-3 and decreases sharply from n = 3 to n = 4, while the decreasing trend becomes smooth for n = 4-6. The competition of ferromagnetic and antiferromagnetic interactions between the neighbouring magnetic moments induces the emergence of noncollinear magnetic coupling in the small bimetallic clusters.
