Stability, Electronic and Magnetic Properties of Rare Earth (Eu, Tm) Implanted InGaN

摘要： The electronic structure and magnetic behavior of InGaN:RE (RE = Eu, Tm) have been studied by using scalar relativistic full-potential linear augmented-plane-wave plus local orbital (FPLAPW + lo) calculations with LSDA+U approximation. Band structure and density of states are analyzed. It appears that the In-site is the preferred site for doping InGaN alloy with rares earth (Eu, Tm) from the formation energy. Our study reveals that these materials are semiconductors with a direct band gap of 1.2345 eV and 1.3657 eV for InGaN:Eu and InGaN:Tm respectively. The total energy of the FM phase is lower than the AFM total energy; this confirms the fact that the ground state at zero temperature is ferromagnetic. A small-induced magnetic moment on other nonmagnetic atoms (Ga, In, and N) and the total magnetic moment of these compounds is mainly due to RE-4f states.