Ab initio absorption spectra of Ge nanocrystals

Guy Nesher, Leeor Kronik, and James R. Chelikowsky
Phys. Rev. B 71, 035344 – Published 31 January 2005

Abstract

Ab initio absorption spectra and optical gaps for hydrogen-passivated Ge nanocrystals are calculated using time-dependent density functional theory within the adiabatic local density approximation. The results are compared to previous effective mass, tight-binding, empirical pseudopotential, and “Δ self-consistent field” calculations and shed light on the validity of the various approximations used. By comparing our results with calculations for hydrogen-passivated Si nanocrystals, we predict that the Ge optical gap is smaller than that of Si for any nanocrystal size.

  • Figure
  • Figure
  • Figure
  • Figure
  • Received 29 June 2004

DOI:https://doi.org/10.1103/PhysRevB.71.035344

©2005 American Physical Society

Authors & Affiliations

Guy Nesher and Leeor Kronik

  • Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel

James R. Chelikowsky

  • Department of Chemical Engineering and Materials Science, and Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, USA

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 71, Iss. 3 — 15 January 2005

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×