Local and collective magnetism of gallium vacancies in GaN studied by GGA+U approach

摘要: Abstract Magnetic properties of Ga vacancies V and vacancy pairs in GaN are analyzed by employing the Generalized Gradient Approximation with +U corrections. Strong spin polarization stabilizes high configurations , leads to its negative- U eff character. Both features reflected magnetic pairs. Because electron transfer between two induced both can be different charge states, thus ground states a pair ferrimagnetic rather than ferro- or antiferromagnetic. coupling – as function separation defects, their relative orientation, state, was calculated. The strength is reduced U-induced localization wave functions. obtained results show that gallium lead observed ferromagnetism irradiated samples.