The effects of hydrogen on the electronic properties of silicon |
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| Institution: | 1. Département de Sciences Exactes, Ecole Normale Supérieure de l’Enseignement Technique, BP 1523, El M’naouer, 31000, Oran, Algeria;2. Computational Materials Science Laboratory, Département de Physique, Institut de Sciences Exactes, Université de Sidi Bel Abbès, 22000, Sidi Bel Abbès, Algeria;3. Applied Materials Laboratory, Centre de Recherches (ex-CFTE), Université de Sidi Bel Abbès, 22000, Sidi Bel Abbès, Algeria;4. Physia-Laboratory, BP 47 (RP), 22000, Sidi Bel Abbès, Algeria;5. Département de Physique, Institut de Sciences Exactes, Université de Tlemcen, 13000, Tlemcen, Algeria;1. Tyndall National Institute, University College Cork, Lee Maltings, Dyke Parade, Cork, Ireland;2. Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, Doha, Qatar;1. Department of Physics, Faculty of Education and Applied Sciences at Arhab, Sana’a University, Sana’a, Yemen;2. Department of Physics, Faculty of Education, Ain Shams University, Cairo, 11757, Egypt;3. Department of Chemistry, Faculty of Science, Taif University, Taif, 21974, Saudi Arabia;4. Department of Chemistry, Faculty of Science, Zagazig University, Zagazig, 44511, Egypt |
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| Abstract: | Silicon (Si) with dangling bonds that are fully passivated by hydrogen (H) is investigated using the well-known non-self-consistent perturbative pseudopotential method (PPM) of M. Jaros. The role of H atoms is studied from a different point of view compared with previous works: (i) the modifications due to these atoms are calculated according to the Si bulk states, (ii) the gap variations with the Si–H bond length, and (iii) the gap variations with the Si/H band line-ups are investigated. This work is an attempt to shed light qualitatively on the role of hydrogen in the electronic properties of porous silicon (PSi). |
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