1,721,001 research outputs found
Hydrogen as a Deep Impurity in Semiconductors and its Interaction with Deep Centers in III-V Compounds
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Structure, Kinetics and Vibrational Properties of Complexes Formed by Hydrogen and Gallium Vacancies in GaAs: a Theoretical Study
No full textElectron correlation effects on the hydrogen passivation of Mn(x)Ga(1-x)As dilute magnetic semiconductors
No full textStabilizing effects of n-type doping on Fe and Mn acceptors in III-V compounds
No full textAn n-type doping significantly increases the number of active, Fe atoms substituting In (FeIn) in Fe-implanted InP. A previous theoretical study has shown that donor-acceptor pairs have direct stabilizing effects on Fe_In related to charge rearrangements strongly localized at the Fe site and involving d orbitals. Here, we extend that study to Fe and Mn acceptors in InP and GaAs. Present results show that the theoretical model proposed for FeIn in InP generally holds for Fe and Mn acceptors in III-V semiconductors
Hydrogen (and Muonium) in Crystalline Silicon: Static Properties and Diffusion Mechanisms
No full textEffects of n-type doping on active Fe sites in ion implanted Fe in InP
No full textAn n-type doping significantly increases the number of active Fe atoms substituting In (Fe-In) in Fe-implanted InP. We address the origin of this doping effect by investigating the relative stability of neutral and charged Fe-In states with first-principles theoretical methods. The present results show that donor-acceptor pairs have direct stabilizing effects on Fe-In related to charge rearrangements strongly localized at the Fe site and involving d orbitals. The resulting microscopic description of the doping effects accounts for the experimental findings and provides a significant guideline for tuning electronic and optical properties of Fe implanted InP and InP-based compounds
X-ray absorption spectra of InxGa1−xN alloys with insight from atom-specific simulations
No full textWe report N-K–edge x-ray absorption near-edge spectra of a set of InxGa1−xN alloy epilayers with 0.36 < x < 0.87, including linear dichroism effects. Careful experimental and data treatment procedures lead to consistent variations of spectral features with In concentration and sample orientation with respect to the direction of
linear polarization of the x-ray beam. Insight into the origin of spectral features is provided by a combination of
ab initio simulations of the equilibrium structure and atom-by-atom spectral simulations. The relation between
the spectral lineshape and the variations in the composition of the first coordination shell and the corresponding
local structural distortions is discussed
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