First-principles characterization of ferromagnetism in N-doped SrTiO3 and BaTiO3

Abstract

The spin-polarization and magnetic coupling character of N-doped SrTiO3 and BaTiO3 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 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 SrTiO3 and BaTiO3.

Accepted by Appl. Phys. Lett.; 4 pages, 3 figures; submitted

References in corpus (2)

• Ferromagnetism in semiconductors and oxides: prospects from a ten years' perspective
• Surface-induced magnetism in C-doped SnO${}_2$

Cited by in corpus (3)

• Tuning the Magnetic and Electronic Properties of Strontium Titanate by Carbon Doping
• Exchange coupling in synthetic anion-engineered chromia heterostructures
• Half-metallicity and giant magneto-optical Kerr effect in N-doped NaTaO${}_3$