Vacancies in fully hydrogenated boron nitride layer: Implications for functional nanodevices

Y. G. Zhou, Z. G. Wang, J. L. Nie, P. Yang, X. Sun, M. A. Khaleel, X. T. Zu, F. Gao

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)105-107
Number of pages3
JournalPhysica Status Solidi - Rapid Research Letters
Volume6
Issue number3
DOIs
Publication statusPublished - 1 Mar 2012
Externally publishedYes

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Keywords

  • BN
  • Density functional theory
  • Electronic properties
  • Hydrogenation
  • Thin films
  • Vacancies

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)

Cite this

Zhou, Y. G., Wang, Z. G., Nie, J. L., Yang, P., Sun, X., Khaleel, M. A., Zu, X. T., & Gao, F. (2012). Vacancies in fully hydrogenated boron nitride layer: Implications for functional nanodevices. Physica Status Solidi - Rapid Research Letters, 6(3), 105-107. https://doi.org/10.1002/pssr.201105513