Browse by author
Lookup NU author(s): Richard Jones,
Professor Patrick Briddon
Full text for this publication is not currently held within this repository. Alternative links are provided below where available.
This article reports the results of investigations based on local-density-functional theory into the relative formation energies for single substitutional carbon atoms in nine III-V compound semiconductors. The calculations are performed using a supercell formalism derived from the AIMPRO real-space cluster method. Only a very slight trend is discernible down the periodic table. When a metal atom is replaced with carbon, it is energetically least favorable in the phosphides, very marginally lower energy in the arsenides, and ≈0.5-0.7 eV lower in the antimonides. The situation is approximately reversed when a P, As, or Sb atom is substituted by a C atom: for the In compounds the energy is ≈0.4-0.8 eV higher than for the Al and Ga compounds.
Author(s): Jones R; Briddon PR; Latham CD; Oberg S
Publication type: Article
Publication status: Published
Journal: Physical Review B (Condensed Matter and Materials Physics)
ISSN (print): 1098-0121
ISSN (electronic): 1550-235X
Publisher: American Physical Society
Altmetrics provided by Altmetric