Edge states of zigzag boron nitride nanoribbons

Fawei Zheng; Ken Ichi Sasaki; Riichiro Saito; Wenhui Duan; Bing Lin Gu

doi:10.1143/JPSJ.78.074713

Edge states of zigzag boron nitride nanoribbons

Fawei Zheng, Ken Ichi Sasaki, Riichiro Saito^*, Wenhui Duan, Bing Lin Gu

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

31 Citations (Scopus)

Abstract

Tight-binding (TB) calculation for zigzag boron nitride nanoribbons (ZBNNRs) is presented. The TB parameters are obtained so as to reproduce density functional calculation. The analytical expressions of boron (nitrogen) edge states that lie near the bottom (top) of conductance (valence) bands are given. The modification of the potential near the edge is found to be important in explaining the small energy dispersion of the edge states. The energy band gap of ZBNNR decreases with increasing ribbon width, which is explained by the edge potential. We also discuss the half metallicity for ZBNNR by considering the Hubbard-type Coulomb interaction.

Original language	English
Article number	074713
Journal	Journal of the Physical Society of Japan
Volume	78
Issue number	7
DOIs	https://doi.org/10.1143/JPSJ.78.074713
Publication status	Published - Jul 2009
Externally published	Yes

Keywords

Boron nitride
Edge states
Half metallicity
Snanoribbons

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10.1143/JPSJ.78.074713

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title = "Edge states of zigzag boron nitride nanoribbons",

abstract = "Tight-binding (TB) calculation for zigzag boron nitride nanoribbons (ZBNNRs) is presented. The TB parameters are obtained so as to reproduce density functional calculation. The analytical expressions of boron (nitrogen) edge states that lie near the bottom (top) of conductance (valence) bands are given. The modification of the potential near the edge is found to be important in explaining the small energy dispersion of the edge states. The energy band gap of ZBNNR decreases with increasing ribbon width, which is explained by the edge potential. We also discuss the half metallicity for ZBNNR by considering the Hubbard-type Coulomb interaction.",

keywords = "Boron nitride, Edge states, Half metallicity, Snanoribbons",

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T1 - Edge states of zigzag boron nitride nanoribbons

AU - Zheng, Fawei

AU - Sasaki, Ken Ichi

AU - Saito, Riichiro

AU - Duan, Wenhui

AU - Gu, Bing Lin

PY - 2009/7

Y1 - 2009/7

N2 - Tight-binding (TB) calculation for zigzag boron nitride nanoribbons (ZBNNRs) is presented. The TB parameters are obtained so as to reproduce density functional calculation. The analytical expressions of boron (nitrogen) edge states that lie near the bottom (top) of conductance (valence) bands are given. The modification of the potential near the edge is found to be important in explaining the small energy dispersion of the edge states. The energy band gap of ZBNNR decreases with increasing ribbon width, which is explained by the edge potential. We also discuss the half metallicity for ZBNNR by considering the Hubbard-type Coulomb interaction.

AB - Tight-binding (TB) calculation for zigzag boron nitride nanoribbons (ZBNNRs) is presented. The TB parameters are obtained so as to reproduce density functional calculation. The analytical expressions of boron (nitrogen) edge states that lie near the bottom (top) of conductance (valence) bands are given. The modification of the potential near the edge is found to be important in explaining the small energy dispersion of the edge states. The energy band gap of ZBNNR decreases with increasing ribbon width, which is explained by the edge potential. We also discuss the half metallicity for ZBNNR by considering the Hubbard-type Coulomb interaction.

KW - Boron nitride

KW - Edge states

KW - Half metallicity

KW - Snanoribbons

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DO - 10.1143/JPSJ.78.074713

M3 - Article

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VL - 78

JO - Journal of the Physical Society of Japan

JF - Journal of the Physical Society of Japan

IS - 7

M1 - 074713

ER -

Edge states of zigzag boron nitride nanoribbons

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Keywords

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