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中国物理学会期刊

LaFe11.5Si1.5中的磁不稳定性

CSTR: 32037.14.aps.54.2868

Magnetovolume instability in compound LaFe11.5Si1.5

CSTR: 32037.14.aps.54.2868
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  • 通过对LaFe11.5Si1.5化合物进行自旋极化和固定磁矩(FSM)的能带 计算,发现LaFe11.5Si1.5化合物具有磁不稳定性的特征,无磁态和铁磁 态的能量 差别很小,FSM计算表明LaFe11.5Si1.5化合物具有低自旋态和高 自旋态的双 磁性态特征,在一定条件下能够在两磁性态之间发生变磁转变.通过计算的结果,定性地分 析了实验上所观察的一些现象.

     

    In order to investigate the magnetovolume instability in compound LaFe11.5Si1.5, we employed first-principles electronic-structure calcul ations b y using a full-potential linearized-augmented-plane-wave method within the gener alized-gradient approximation. The total energies of nonmagnetic and ferromagnet ic states were calculated by spin-polarization approach and the calculated resul ts showed that there is little difference between them. The fixed-spin-moment ca lculation confirmed that the metamagnetic transition was associated with low-sp in-high-spin transition in compound LaFe1.5Si1.5. Based o n the ca lculated results, we could explain qualitatively some of the experiment results.

     

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