An effective one-particle theory for formation energies in doping Si nanostructures

作者:Chan Tzu Liang*; Zhang S B; Chelikowsky James R
来源:Applied Physics Letters, 2011, 98(13): 133116.
DOI:10.1063/1.3571552

摘要

By examining the formation energy (E-form) of P, As, and Al-doped Si nanostructures, we find that the many-body interactions related to the chemistry of the dopant are short ranged and hence size-insensitive when the dopant is at least a few bond length away from the surfaces. As a result, the size evolution of E-form can be understood remarkably well by an effective one-particle picture, and is found to follow two universal curves; one for donors and one for acceptors. Only for nanostructures smaller than similar to 2 nm in diameter, different dopants may exhibit different E-form trend due to many-body interactions.

  • 出版日期2011-3-28