de.mpg.escidoc.pubman.appbase.FacesBean
Deutsch
 
Hilfe Wegweiser Impressum Kontakt Einloggen
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT

Freigegeben

Zeitschriftenartikel

Stabilization of semiconductor surfaces through bulk dopants

MPG-Autoren
http://pubman.mpdl.mpg.de/cone/persons/resource/persons22264

Xu,  Yong
Theory, Fritz Haber Institute, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons21637

Hofmann,  Oliver T.
Theory, Fritz Haber Institute, Max Planck Society;

http://pubman.mpdl.mpg.de/cone/persons/resource/persons22010

Rinke,  Patrick
Theory, Fritz Haber Institute, Max Planck Society;

Externe Ressourcen
Es sind keine Externen Ressourcen verfügbar
Volltexte (frei zugänglich)

1367-2630_15_8_083009.pdf
(Verlagsversion), 446KB

Ergänzendes Material (frei zugänglich)
Es sind keine frei zugänglichen Ergänzenden Materialien verfügbar
Zitation

Moll, N., Xu, Y., Hofmann, O. T., & Rinke, P. (2013). Stabilization of semiconductor surfaces through bulk dopants. New Journal of Physics, 15(8): 083009. doi:10.1088/1367-2630/15/8/083009.


Zitierlink: http://hdl.handle.net/11858/00-001M-0000-0013-FCEE-1
Zusammenfassung
We show by employing density-functional theory (DFT) calculations (including a hybrid functional) that ZnO surfaces can be stabilized by bulk dopants. As an example, we study the bulk-terminated ZnO (0001) surface covered with half a monolayer of hydrogen. We demonstrate that deviations from this half-monolayer coverage can be stabilized by electrons or holes from bulk dopants. The electron chemical potential therefore becomes a crucial parameter that cannot be neglected in semiconductor surface studies. As one result, we nd that to form the defect-free surface with a half-monolayer coverage of hydrogen for n-type ZnO, ambient hydrogen background pressures are more conducive than high vacuum pressures.