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• W2015789726 abstract "Spin-polarized density functional theory has been used to study the properties of seven kinds of divacancies in graphitic boron nitride sheets. We find that some divacancies are magnetic and the symmetry of the sheets is broken by the distortion of atoms which are close to the vacancies. According to the formation energies, the neighboring boron and nitrogen vacancy pair is the most likely to form. Our calculations demonstrate that the divacancies can induce fundamental changes in the electronic properties of the sheet, making semiconducting–to–half-metallic transitions occur. The results can be used to customize the spintronics devices." @default.
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• W2015789726 date "2009-05-01" @default.
• W2015789726 modified "2023-09-27" @default.
• W2015789726 title "Divacancies in graphitic boron nitride sheets" @default.
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• W2015789726 doi "https://doi.org/10.1209/0295-5075/86/46002" @default.
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