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中国物理学会期刊

GeFe2O4晶体的基态能级和零场分裂参量

CSTR: 32037.14.aps.52.2280

Ground-state energy and zero-field splitting parameters in GeFe2O4 crystal

CSTR: 32037.14.aps.52.2280
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  • GeFe2O4是一种单晶化合物,考虑到由3个〈111〉方向之一的一个 轴,从一个中心位置 到另一个中心位置之间,以Fe2+离子为中心离子和O2-为配体构 成了三角(C 3v)对称体系.利用不可约张量理论,建立了3d4/3d6离子三角(C3 v)对称的晶体场和 自旋相互作用哈密顿矩阵,因此,由完全对角化的晶体场和自旋-轨道相互作用哈密顿矩阵 和电子顺磁共振理论公式求出单晶GeFe2O4中Fe2+离子 的电子顺磁共振零场分 裂参量D和F-a.并研究了自旋三重态对电子顺磁共振(EPR)零场分裂的贡献.结果显示自旋 三重态对基态零场分裂的贡献是较强的,理论计算结果与实验值相符.

     

    GeFe2O4 is a spinel-type compound in which the neighborhoo d of a Fe2+ ion has a trigonal symmetry with respect to an axis which is parallel to one of the three 〈111〉 direction,and varies from site to site . The crystal-field and spin-orbit complete Hamiltonian matrix of 3d4/3d6 ions ha ve been establishe d by irreducible representation method, The zero-field splitting parameters D an d F-a of Fe2+ ions in GeFe2O4 crystal are prese nted by using the cryst al-field and spin-orbit interaction complete diagonalizing Hamiltonian matrix wi th the theory of electron paramagnetic resonance; at the same time, the contribu tions to zero-field splitting from spin-triplet state have been studied. The res ults show that the contributions to zero-field splitting from spin-triplet state are important and strong. The calculated results are in good agreement with the experimental data.

     

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