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Magnetic Properties in {\rm Li}_{1-{\rm x}}{\rm A}_{\rm x}{\rm NbO}_{3} ( {\rm A}={\rm Ca} , Sr, and Ba) and {\rm LiNbO}_{3-{\rm y}}{\rm M}_{\rm y} ( {\rm M}={\rm F} , Cl, and Br) From First-Principles Study

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4 Author(s)
Yongjia Zhang ; Sch. of Phys., Shandong Univ., Jinan, China ; Jifan Hu ; Hua Liu ; Hongwei Qin

Based on first-principles study, the magnetic properties of the substitution for Li by A ( A=Ca, Sr, and Ba) and for O by M ( M=F, Cl, and Br) in LiNbO3 have been investigated. These substitutions in LiNbO3 could bring about the magnetic moments, which mainly arise from the s orbital of Nb atoms surrounding the doping element. The magnetism induced by the substitutions in ferroelectric LiNbO3 provides one alternative route to fabricate the multiferroic materials.

Published in:

IEEE Transactions on Magnetics  (Volume:47 ,  Issue: 10 )