A simple displacement scheme is proposed in the case of charge misfitting substitution for 3d(5) ions in corundum-type structures. According to the scheme, the impurity ion does not occupy the exact site of the host ion, but is displaced along the C-3 axis. The displacement direction depends upon the change of the electrostatic repulsive force between the cationic pair and hence upon the charge carried by impurity ion. Based on this, the zero-field splittings of MgTiO3:Fe3+ and Al2O3:Mn2+ crystals are reasonably explained and the substitution positions of Fe3+ and Mn2+ ions in LiNbO3 crystals are determined from the superposition model calculations. The results show good agreement with those obtained from other experiments.
部门归属
acad sinica,int ctr mat phys,shenyang 110015,peoples r china. sichuan univ,dept mat sci,chengdu 610064,peoples r china.
W. C. Zheng. CATION DISPLACEMENT IN THE CASE OF CHARGE MISFITTING SUBSTITUTION FOR 3D(5) IONS IN CORUNDUM-TYPE STRUCTURE[J]. Journal of Physics and Chemistry of Solids,1995,56(1):61-64.
APA
W. C. Zheng.(1995).CATION DISPLACEMENT IN THE CASE OF CHARGE MISFITTING SUBSTITUTION FOR 3D(5) IONS IN CORUNDUM-TYPE STRUCTURE.Journal of Physics and Chemistry of Solids,56(1),61-64.
MLA
W. C. Zheng."CATION DISPLACEMENT IN THE CASE OF CHARGE MISFITTING SUBSTITUTION FOR 3D(5) IONS IN CORUNDUM-TYPE STRUCTURE".Journal of Physics and Chemistry of Solids 56.1(1995):61-64.
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