Abstract
The spin-polarization and magnetic coupling character of N-doped SrTiO3 (STO) and BaTiO3 (BTO) are studied through first-principles calculations. The substitutional N doping at O sites leads to a half-metallic property and produces a magnetic moment of 1.0 μB. The magnetic interaction between the nearest and next-nearest N dopants results in a strong ferromagnetic (FM) coupling. When the distance between the N dopants is larger than 7 Å, the ground state of the system tends to be paramagnetic. A nitrogen-concentration threshold to produce the ferromagnetism is estimated. The calculated results give a good explanation for the experimentally observed ferromagnetism in N-doped STO and BTO.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
