Tight-binding calculations of the optical response of optimally P-doped Si nanocrystals: a model for localized surface plasmon resonance

Phys Rev Lett. 2013 Oct 25;111(17):177402. doi: 10.1103/PhysRevLett.111.177402. Epub 2013 Oct 25.

Abstract

We present tight-binding calculations in the random-phase approximation of the optical response of Silicon nanocrystals (Si NCs) ideally doped with large concentrations of phosphorus (P) atoms. A collective response of P-induced electrons is demonstrated, leading to localized surface plasmon resonance (LSPR) when a Si NC contains more than ≈10 P atoms. The LSPR energy varies not only with doping concentration but also with NC size due to size-dependent screening by valence electrons. The simple Drude-like behavior is recovered for NC size above 4 nm. Si NCs containing a large number of deep defects in place of hydrogenic impurities do not give rise to LSPR.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Models, Theoretical*
  • Nanoparticles / chemistry*
  • Phosphorus / chemistry*
  • Silicon / chemistry*
  • Surface Plasmon Resonance / methods*

Substances

  • Phosphorus
  • Silicon