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E. Artacho, D. Sachez-Portal, P. Ordejon, A. Garcia and J. M. Soler, “Linear-Scaling Ab-Initio Calculations for Large and Complex Systems,” Physica Status Solidi B-Basic Research, Vol. 215, No. 1, 1999, pp. 809-817. doi:10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0

has been cited by the following article:

• TITLE: Structural and Electronic Properties of Impurities on Boron Nitride Nanotube

  AUTHORS: Gabrielle P. Soares, Silvete Guerini

  KEYWORDS: BN Nanotube, DFT, Electronic Properties

  JOURNAL NAME: Journal of Modern Physics, Vol.2 No.8, August 12, 2011

  ABSTRACT: The structural and electronic properties of molybdenum and magnesium substitution doping in (10,0) boron nitride nanotube (BNNT), are investigated through first-principle calculations. The electronic band structures results indicate that the molybdenum doped systems behave as n-type impurity. However, the magnesium doped systems behave as p-type impurity when magnesium replaces boron, and as a n-type impurity when the magnesium replaces nitrogen. The analysis of the energies formation shows that the molybdenum replacing a boron and nitrogen atoms are more favorable than the magnesium substitution in boron and nitrogen.