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发布网友 发布时间：2022-04-19 23:23

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热心网友 时间：2023-09-28 17:18

DFT based on the first principles pseudopotential plane wave method,Wurtzite structure of the six-party AlN and Al15CuN16 the electronic structure of magnetic and a systematic study. Comparative Analysis of the results obtained:(1) This levy does not exist AlN semiconctor spin-polarized state, non-magnetic plasma doping Cu system of spin-polarized state, and the spin-polarized states more stable;(2) This levy AlN semiconctor spin-up and spin down the band have not split not magnetic, non-magnetic plasma doping system Cu spin up and spin-down band obviously have a split, Cu the 3d and track e-N atom 2 p track in a clear track hybrid, a magnetic, magnetic distance to 2.0 μ B, is the main source of its magnetic p-d orbital hybrid;(3) Al15CuN16 ferromagnetic system and the stability of the anti-ferromagnetic, ferromagnetic than the low energy of the anti-iron, ferro-more stable. At the same time based on average market model similar to the Heisenberg theory inferred from its Curie temperature greater than 350 K, have a good ferromagnetic at room temperature, as an ideal dilute magnetic semiconctor materials.