@article{oai:kanazawa-u.repo.nii.ac.jp:00059036,
 author = {斎藤, 峯雄 and Widianto, Muhammad Yusuf Hakim and Kadarisman, Hana Pratiwi and Yatmeidhy, Amran Mahfudh and Saito, Mineo},
 issue = {7},
 journal = {Japanese Journal of Applied Physics},
 month = {Jun},
 note = {We study spin-polarized cation vacancies in wurtzite structure semiconductors (BeO, ZnO, ZnS, CdS, BN, AlN, GaN and GaP) by using first-principles calculations based on the density functional theory. We find that C3v geometries are the most stable and are spin-polarized. Two majority spin electrons occupying the defect E level lead to the magnetic moment of 2 μ B in the case of II-VI semiconductors. On the contrary, in the case of III-V semiconductors, three majority spin electrons occupying the defect E and A1 levels induce the magnetic moment of 3 μ B . The spin polarization of cation vacancies in oxides and nitrides are found to be stable compared with other cation vacancies in II-VI and III-V semiconductors, respectively. We clarify that the effect of the symmetry lowering from C3v to C s is small and thus confirm that the spin polarized C3v geometries are the most stable. © 2020 The Japan Society of Applied Physics., Embargo Period 12 months, 金沢大学ナノマテリアル研究所 / 金沢大学理工研究域数物科学系},
 title = {Spin-polarized cation monovacancies in wurtzite structure semiconductors: first-principles study},
 volume = {59},
 year = {2020}
}