Abstract
We study in detail by means of ab initio pseudopotential calculations the electronic structure of five-fold coordinated (T5) defects in a-Si and a-Si:H, also during their formation and their evolution upon hydrogenation. The atom-projected densities of states (DOS) and an accurate analysis of the valence charge distribution clearly indicate the fundamental contribution of T5 defects in originating gap states through their nearest neighbors. The interaction with hydrogen can reduce the DOS in the gap annihilating T5 defects.
Original language | English |
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Pages (from-to) | 481-486 |
Number of pages | 6 |
Journal | EPL |
Volume | 47 |
Issue number | 4 |
DOIs | |
State | Published - Aug 11 1999 |