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Vacancies in fully hydrogenated boron nitride layer: implications for functional nanodevices
Author(s) -
Zhou Y. G.,
Wang Z. G.,
Nie J. L.,
Yang P.,
Sun X.,
Khaleel M. A.,
Zu X. T.,
Gao F.
Publication year - 2012
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.201105513
Subject(s) - spintronics , vacancy defect , condensed matter physics , materials science , fermi level , density functional theory , boron nitride , magnetism , semiconductor , band gap , spin polarization , doping , electronic structure , magnetic semiconductor , nitride , nanotechnology , layer (electronics) , optoelectronics , computational chemistry , chemistry , ferromagnetism , physics , electron , quantum mechanics
Using density functional theory, a series of calculations of structural and electronic properties of hydrogen vacancies in a fully hydrogenated boron nitride (fH‐BN) layer were conducted. By dehydrogenating the fH‐BN structure, B‐terminated vacancies can be created which induce complete spin polarization around the Fermi level, irrespective of the vacancy size. On the contrary, the fH‐BN structure with N‐terminated vacancies can be a small‐gap semiconductor, a typical spin gapless semiconductor, or a metal depending on the vacancy size. Utilizing such vacancy‐induced band gap and magnetism changes, possible applications in spintronics are proposed, and a special fH‐BN based quantum dot device is designed. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)