The Electronic and Magnetic Properties of Chemically Decorated Boron Nitride Sheet

Abstract:

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The electronic and magnetic properties of the boron nitride (BN) sheets with different chemical decoration are investigated using the first-principles plane-wave calculations within density functional theory (DFT). It is demonstrated that bare BN sheets are nonmagnetic semiconductors with wide band gaps, and a metallic–semiconducting–half-metallic transition with a nonmagnetic– magnetic transfer can be realized through chemical decoration. Specifically, BN sheets modified by H with zigzag configuration still behave as semiconductors, while with armchair configuration are metallic. Nevertheless, decorating BN sheets by F or OH with zigzag configuration reveal half-metallic properties, then with armchair configuration present spin-polarized semiconducting characteristics. The results may be of importance in designing BN-based electronic devices for nanoelectronic applications.

Info:

Periodical:

Edited by:

Han Zhao

Pages:

1439-1443

DOI:

10.4028/www.scientific.net/AMM.130-134.1439

Citation:

Q. Zhou et al., "The Electronic and Magnetic Properties of Chemically Decorated Boron Nitride Sheet", Applied Mechanics and Materials, Vols. 130-134, pp. 1439-1443, 2012

Online since:

October 2011

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$35.00

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