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- Title
Electronic structure and optical property of 3 d transition metal doped (5,5) boron nitride nanotube.
- Authors
Wang, Su-Fang; Zhang, Yan; Zhang, Jian-Min; Xu, Ke-Wei; Ji, Vincent
- Abstract
The electronic structure and magnetic and optical properties of a 3 d transition metal M (M = V, Cr, Mn, Fe) doped (5,5) boron nitride (BMN) nanotube are investigated by using the first-principles projector augmented wave potential within density functional theory under the generalized gradient approximation. It is found that BVN and BMnN systems are ideal candidates for spintronic applications, and the BCrN system seems to be a promising diluted magnetic semiconductor. The analyses of optical dielectric functions show that BCrN exhibits a new main peak at about 0.3 eV, and thus may be utilized in fields that are associated with infrared technology, such as infrared detectors, infrared masers, and so on.
- Subjects
ELECTRONIC structure; TRANSITION metals; OPTICAL properties of metals; DOPED semiconductors; BORON nitride; NANOTUBES; MAGNETIC properties of metals; DILUTED magnetic semiconductors
- Publication
Applied Physics A: Materials Science & Processing, 2012, Vol 109, Issue 3, p601
- ISSN
0947-8396
- Publication type
Article
- DOI
10.1007/s00339-012-7074-4