First principle study of structural, electronic and magnetic properties of zigzag boron nitride nanoribbon: Role of vacancies

Journal Article · Fri May 15 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4915406· OSTI ID:22391726

Kumar, Arun ^[1]; Bahadur, Amar ^[2]; Mishra, Madhukar ^[3]; Vasudeva, Neena ^[4]

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1. Department of Physics, Govt. College Banjar, Kullu, Himanchal Pradesh, 175123 India (India)
2. Department of Physics, Kamla Nehru Institute of Physical and Social Sciences, Sultanpur, Uttar Pradesh, 228118 India (India)
3. Department of Physics, Birla Institute of Technology and Science, Pilani, Rajasthan, 333031 India (India)
4. Department of Physics, S. V. G. College, Ghumarwin, Bilaspur, Himanchal Pradesh, 1714021 India (India)

We study the effect of vacancies on the structural, electronic and magnetic properties of zigzag boron nitride nanoribbon (ZBNNR) by using first principle calculations. We find that the shift of the vacancies with respect to the ribbon edges causes change in the structural geometry, electronic structure and magnetization of ZBNNR. These vacancies also produce band gap modulation and consequently results the magnetization of ZBNNR.

• OSTI ID: 22391726
• Journal Information: AIP Conference Proceedings, Vol. 1661, Issue 1; Conference: ICCMP 2014: International Conference on Condensed Matter Physics 2014, Shimla (India), 4-6 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
BAND THEORY
BORON NITRIDES
ELECTRONIC STRUCTURE
ENERGY GAP
MAGNETIC PROPERTIES
MAGNETIZATION
NANOSTRUCTURES
VACANCIES