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EnglishWe present the results of first-principles calculations of the properties of neutral (H0) and charged (H+ and H-) hydrogen in bulk GaAs. The equilibrium sites are determined, and the electronic properties for the equilbrium positions are studied. H+ behaves as a deep donor and prefers to stay in a high valence charge region which includes the bond center. H- behaves as a deep acceptor and prefers the low valence charge region near a tetrahedral site. H0 has an amphoteric behaviour depending on the site it occupies. We compare our results with the results of calculations for H in Si.
| Titolo: | 1ST PRINCIPLES CALCULATIONS OF HYDROGEN IN BULK GAAS |
| Autori: | |
| Data di pubblicazione: | 1991 |
| Rivista: | |
| Abstract: | We present the results of first-principles calculations of the properties of neutral (H0) and charged (H+ and H-) hydrogen in bulk GaAs. The equilibrium sites are determined, and the electronic properties for the equilbrium positions are studied. H+ behaves as a deep donor and prefers to stay in a high valence charge region which includes the bond center. H- behaves as a deep acceptor and prefers the low valence charge region near a tetrahedral site. H0 has an amphoteric behaviour depending on the site it occupies. We compare our results with the results of calculations for H in Si. |
| Handle: | http://hdl.handle.net/11390/679833 |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
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