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Near‐Edge States Induced by Hydrogen Inclusion in Gallium Arsenide
Author(s) -
Amore Bonapasta A.,
Capizzi M.,
Giannozzi P.
Publication year - 1998
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/(sici)1521-3951(199812)210:2<277::aid-pssb277>3.0.co;2-d
Subject(s) - ion , photoluminescence , gallium arsenide , atomic physics , hydrogen , materials science , band gap , spectral line , conduction band , density of states , enhanced data rates for gsm evolution , lattice (music) , valence (chemistry) , molecular physics , condensed matter physics , chemistry , physics , optoelectronics , electron , telecommunications , organic chemistry , quantum mechanics , astronomy , computer science , acoustics
The equilibrium geometries and the electronic structures for different locations of H atoms and ions in GaAs have been evaluated by first‐principle local density functional methods. Discrete near‐edge levels are induced in the bandgap by the interactions of hydrogen with the GaAs lattice, as well as by charge effects in the case of H ions. Radiative transitions between those conduction‐band and valence‐band near‐edge states account for the main features of the emission bands observed in the photoluminescence spectra of hydrogenated III–V compounds.