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

Fingerprint

Boron nitride
boron nitrides
Vacancies
Semiconductor materials
Magnetoelectronics
Spin polarization
Magnetism
Fermi level
Electronic properties
Semiconductor quantum dots
Density functional theory
boron nitride
Structural properties
Hydrogen
Energy gap
Metals
quantum dots
density functional theory
polarization
hydrogen

Keywords

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

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)

Cite this

Vacancies in fully hydrogenated boron nitride layer : Implications for functional nanodevices. / Zhou, Y. G.; Wang, Z. G.; Nie, J. L.; Yang, P.; Sun, X.; Khaleel, M. A.; Zu, X. T.; Gao, F.

In: Physica Status Solidi - Rapid Research Letters, Vol. 6, No. 3, 01.03.2012, p. 105-107.

Research output: Contribution to journalArticle

Zhou, Y. G. ; Wang, Z. G. ; Nie, J. L. ; Yang, P. ; Sun, X. ; Khaleel, M. A. ; Zu, X. T. ; Gao, F. / Vacancies in fully hydrogenated boron nitride layer : Implications for functional nanodevices. In: Physica Status Solidi - Rapid Research Letters. 2012 ; Vol. 6, No. 3. pp. 105-107.
@article{a1151cc7c0be4125a874237ad907246f,
title = "Vacancies in fully hydrogenated boron nitride layer: Implications for functional nanodevices",
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.",
keywords = "BN, Density functional theory, Electronic properties, Hydrogenation, Thin films, Vacancies",
author = "Zhou, {Y. G.} and Wang, {Z. G.} and Nie, {J. L.} and P. Yang and X. Sun and Khaleel, {M. A.} and Zu, {X. T.} and F. Gao",
year = "2012",
month = "3",
day = "1",
doi = "10.1002/pssr.201105513",
language = "English",
volume = "6",
pages = "105--107",
journal = "Physica Status Solidi - Rapid Research Letters",
issn = "1862-6254",
publisher = "Wiley-VCH Verlag",
number = "3",

}

TY - JOUR

T1 - Vacancies in fully hydrogenated boron nitride layer

T2 - Implications for functional nanodevices

AU - Zhou, Y. G.

AU - Wang, Z. G.

AU - Nie, J. L.

AU - Yang, P.

AU - Sun, X.

AU - Khaleel, M. A.

AU - Zu, X. T.

AU - Gao, F.

PY - 2012/3/1

Y1 - 2012/3/1

N2 - 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.

AB - 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.

KW - BN

KW - Density functional theory

KW - Electronic properties

KW - Hydrogenation

KW - Thin films

KW - Vacancies

UR - http://www.scopus.com/inward/record.url?scp=84863140201&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84863140201&partnerID=8YFLogxK

U2 - 10.1002/pssr.201105513

DO - 10.1002/pssr.201105513

M3 - Article

VL - 6

SP - 105

EP - 107

JO - Physica Status Solidi - Rapid Research Letters

JF - Physica Status Solidi - Rapid Research Letters

SN - 1862-6254

IS - 3

ER -