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
Copyright policy ) Yongjia Zhang; Jifan Hu; Hua Liu; Hongwei Qin;
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
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.
- Shandong Women’s University China (People's Republic of)
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