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- W1755787984 abstract "Abstract Magnetic properties of Ga vacancies V Ga and vacancy pairs in GaN are analyzed by employing the Generalized Gradient Approximation with the +U corrections. Strong spin polarization stabilizes high spin configurations of V Ga , and leads to its negative- U eff character. Both features are reflected in the magnetic properties of vacancies pairs. Because of electron transfer between two vacancies induced by negative- U eff , both vacancies can be in different charge and spin states, and thus the spin ground states of a pair can be ferrimagnetic rather than ferro- or antiferromagnetic. Magnetic coupling of V Ga – V Ga pairs as a function of separation between the defects, their relative orientation, and of the charge state, was calculated. The strength of magnetic coupling is reduced by the U-induced localization of the wave functions. The obtained results show that gallium vacancies can lead to the observed ferromagnetism in irradiated GaN samples." @default.
- W1755787984 created "2016-06-24" @default.
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- W1755787984 date "2016-03-01" @default.
- W1755787984 modified "2023-09-27" @default.
- W1755787984 title "Local and collective magnetism of gallium vacancies in GaN studied by GGA+U approach" @default.
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- W1755787984 doi "https://doi.org/10.1016/j.jmmm.2015.10.038" @default.
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