000196705 001__ 196705
000196705 005__ 20181203023426.0
000196705 0247_ $$2doi$$a10.1016/j.apsusc.2013.09.063
000196705 022__ $$a0169-4332
000196705 02470 $$2ISI$$a000329327700003
000196705 037__ $$aARTICLE
000196705 245__ $$aThe O-As defect in GaAs: A hybrid density functional study
000196705 260__ $$bElsevier$$c2014$$aAmsterdam
000196705 269__ $$a2014
000196705 300__ $$a5
000196705 336__ $$aJournal Articles
000196705 520__ $$aThe O center substitutional to As (O-As) is addressed through hybrid functional calculations as a candidate defect to explain the Fermi-level pinning in oxygen-doped GaAs. The defect center shows amphoteric behavior which could lead to Fermi-level pinning. However, the calculated charge transition levels only moderately agree with the experimental pinning level. Furthermore, the first-neighbor shell of the O atom and the absence of negative-U behavior clearly contrast with the experimental characterization. Thus, the present results do not support the O-As center as origin of the observed Fermi-level pinning in oxygen-doped GaAs. (C) 2013 Elsevier B. V. All rights reserved.
000196705 6531_ $$aGaAs
000196705 6531_ $$aOxygen defect
000196705 6531_ $$aFermi-level pinning
000196705 6531_ $$aHybrid functional
000196705 700__ $$0245924$$g218908$$aColleoni, Davide
000196705 700__ $$aPasquarello, Alfredo$$g109250$$0241891
000196705 773__ $$j291$$tApplied Surface Science$$q6-10
000196705 909C0 $$xU10186$$0252232$$pCSEA
000196705 909CO $$pSB$$particle$$ooai:infoscience.tind.io:196705
000196705 917Z8 $$x109250
000196705 937__ $$aEPFL-ARTICLE-196705
000196705 973__ $$rREVIEWED$$sPUBLISHED$$aEPFL
000196705 980__ $$aARTICLE