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Collinear and noncollinear spin ground state of wurtzite CoO

机译:纤锌矿CoO的共线和非共线自旋基态

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Collinear and noncollinear spin structures of wurtzite phase CoO often appearing in nanosized samples are investigated using first-principles density functional theory calculations.We examined the total energy of several different spin configurations, electronic structure, and the effective magnetic coupling strengths.It is shown that the AF3-type antiferromagnetic ordering is energetically most stable among possible collinear configurations.Further, we found that a spiral spin order can be stabilized by including the relativistic spin-orbit coupling and the noncollinearity of spin direction.Our result suggests that a noncollinear spin ground state can be observed in the transition-metal-oxide nanostructures, which adds an interesting aspect to the nanomagnetism study.
机译:使用第一原理密度泛函理论计算研究了纳米尺寸样品中经常出现的纤锌矿相CoO的共线和非共线自旋结构,研究了几种不同自旋构型的总能量,电子结构以及有效磁耦合强度,结果表明:在可能的共线构型中,AF3型反铁磁排序在能量上最稳定。此外,我们发现可以通过包含相对论自旋轨道耦合和自旋方向的非共线性来稳定螺旋自旋,我们的结果表明非共线自旋地面可以在过渡金属氧化物纳米结构中观察到状态,这为纳米磁性研究增加了一个有趣的方面。

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