It was found that the aluminium vacancy in wurtzite AlN produced two impurity

levels, e and a2, in the band-gap; not just a single t2 level. The aluminium vacancy

carried a magnetic moment of lμB in the ground state. The molecular orbit of the

aluminium vacancy became e↑↑a2

↓. The intrinsic symmetry of wurtzite AlN was the

driving force for this spin-splitting. The symmetry of wurtzite AlN resulted in an

anti-ferromagnetic coupling between the aluminium vacancies, as predicted. These

findings were helpful in gaining a more through understanding of the structural and

spin properties of the aluminium vacancy in wurtzite AlN.

First Principles Study of Aluminium Vacancy in Wurtzite Aluminium Nitride.

T.G.Gao, J.M.Yi, Z.Y.Zhou, X.D.Hu: Chinese Physics Letters, 2008, 25[8], 2989-

92