Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Relative concentration and structure of native defects in GaP
KTH, School of Information and Communication Technology (ICT), Material Physics.
2005 (English)In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 72, no 19, 195213- p.Article in journal (Refereed) Published
Abstract [en]

The native defects in the compound semiconductor GaP have been studied using a pseudopotential density functional theory method in order to determine their relative concentrations and the most stable charge states. The electronic and atomic structures are presented and the defect concentrations are estimated using calculated formation energies. Relaxation effects are taken into account fully and produce negative-U charge transfer levels for V-P and P-Ga. The concentration of V-Ga is in good agreement with the results of positron annihilation experiments. The charge transfer levels presented compare qualitatively well with experiments where available. The effect of stoichiometry on the defect concentrations is also described and is shown to be considerable. The lowest formation energies are found for P-Ga(+2) in p-type and V-Ga(-3) in n-type GaP under P-rich conditions, and for Ga-P(-2) in n-type GaP under Ga-rich conditions. Finally, the finite size errors arising from the use of supercells with periodic boundary conditions are examined.

Place, publisher, year, edition, pages
2005. Vol. 72, no 19, 195213- p.
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-38259DOI: 10.1103/PhysRevB.72.195213ISI: 000233603700067Scopus ID: 2-s2.0-29844457085OAI: oai:DiVA.org:kth-38259DiVA: diva2:436454
Note
QC 20110823Available from: 2011-08-23 Created: 2011-08-23 Last updated: 2017-12-08Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full textScopus

Search in DiVA

By author/editor
Castleton, Christopher W. M.
By organisation
Material Physics
In the same journal
Physical Review B. Condensed Matter and Materials Physics
Physical Sciences

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 20 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf