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Gallium arsenide is currently under scrutiny for replacing silicon in microelectronic devices due to its high carrier mobilities. However, the widespread use of this semiconductor is hampered by the intrinsic difficulty of producing high-quality interfaces ...
EPFL2015
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An arsenic related defect at the In0.53Ga0.47As/oxide interface is studied through density functional theory. This defect corresponds to an As-As timer which transforms into two doubly occupied As dangling bonds upon capture of two electrons. The defect ch ...
Elsevier2015
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The 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. ...
Elsevier2014
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The band alignment at the interface between GaAs and amorphous Al2O3 is studied through the use of hybrid functionals. For the oxide component, a disordered model is generated through density-functional molecular dynamics. The achieved structure shows good ...
American Institute of Physics2015
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The structural and electronic properties of Ga-As suboxide representative of the transition region at the GaAs/oxide interface are studied through density functional calculations. Two amorphous models generated by quenches from the melt are taken under con ...
American Institute of Physics2015
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Through first-principles simulation methods, we assign the origin of Fermi-level pinning at GaAs surfaces and interfaces to the bistability between the As-As dimer and two As dangling bonds, which transform into each other upon charge trapping. This defect ...
Institute of Physics2014
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In and Ga impurities substitutional to Al in the oxide layer resulting from diffusion out of the substrate are identified as candidates for electron traps under inversion at In0.53Ga0.47As/Al2O3 interfaces. Through density-functional calculations, these de ...
American Institute of Physics2017
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Using density functional calculations, we study a set of candidate defects for Fermi-level pinning at GaAs/oxide interfaces. The set of considered defects comprises both bulklike and interfacial defects, including As antisites, Ga and As dangling bonds, th ...
American Physical Society2015
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Using hybrid density functional calculations, we address the structural properties, formation energies, and charge transition levels of a variety of oxygen defects in GaAs. The set of considered defects comprises the bridging O atom in a As-O-Ga configurat ...
Amer Physical Soc2016
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The (As-Ga)(2)-O-As defect in oxygen-doped GaAs, consisting of two As antisites neighboring an O center substitutional to As, is addressed through hybrid functional calculations. This defect not only accounts for the nearest neighbor environment of the O a ...
