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P. Ordejon and J. M. Soler, “Self-Consistent Order-N Density-Functional Calculations for Very Large Systems,” Physical Review B, Vol. 53, No. 16, 1996, pp. 10441-10444. doi:10.1103/PhysRevB.53.R10441

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.