Magnetic Properties in ${\rm Li}_{1-{\rm x}}{\rm A}_{\rm x}{\rm NbO}_{3}$ ( ${\rm A}={\rm Ca}$

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.