Proton-induced fixed positive charge at the Si(100)-SiO2 interface.
Positively charged defects induced by protons at the Si(100)-SiO2 interface are studied through density-functional calculations and realistic interface models. Protons generally preserve the bonding network, but cause the spontaneous breaking of strained bonds leading to threefold-coordinated Si(3)(...
| Autori principali: | , , |
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| Natura: | Journal article |
| Lingua: | English |
| Pubblicazione: |
2007
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| _version_ | 1826291643287863296 |
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| author | Godet, J Giustino, F Pasquarello, A |
| author_facet | Godet, J Giustino, F Pasquarello, A |
| author_sort | Godet, J |
| collection | OXFORD |
| description | Positively charged defects induced by protons at the Si(100)-SiO2 interface are studied through density-functional calculations and realistic interface models. Protons generally preserve the bonding network, but cause the spontaneous breaking of strained bonds leading to threefold-coordinated Si(3)(+) and O(3)(+). Defect energies fall within a band of approximately 0.5 eV, which is stabilized by approximately 0.3 eV at the interface. Only the O(3)(+) at approximately 1 eV lower energies stand out as deep defects. This description is consistent with several experimental observations and supports the O(3)(+) as the origin of the fixed positive charge generated during silicon oxidation, in accord with a previous suggestion inferred from electrical data. |
| first_indexed | 2024-03-07T03:02:29Z |
| format | Journal article |
| id | oxford-uuid:b16b04d4-7698-411b-aec4-d8a36bcf7aeb |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T03:02:29Z |
| publishDate | 2007 |
| record_format | dspace |
| spelling | oxford-uuid:b16b04d4-7698-411b-aec4-d8a36bcf7aeb2022-03-27T04:03:57ZProton-induced fixed positive charge at the Si(100)-SiO2 interface.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:b16b04d4-7698-411b-aec4-d8a36bcf7aebEnglishSymplectic Elements at Oxford2007Godet, JGiustino, FPasquarello, APositively charged defects induced by protons at the Si(100)-SiO2 interface are studied through density-functional calculations and realistic interface models. Protons generally preserve the bonding network, but cause the spontaneous breaking of strained bonds leading to threefold-coordinated Si(3)(+) and O(3)(+). Defect energies fall within a band of approximately 0.5 eV, which is stabilized by approximately 0.3 eV at the interface. Only the O(3)(+) at approximately 1 eV lower energies stand out as deep defects. This description is consistent with several experimental observations and supports the O(3)(+) as the origin of the fixed positive charge generated during silicon oxidation, in accord with a previous suggestion inferred from electrical data. |
| spellingShingle | Godet, J Giustino, F Pasquarello, A Proton-induced fixed positive charge at the Si(100)-SiO2 interface. |
| title | Proton-induced fixed positive charge at the Si(100)-SiO2 interface. |
| title_full | Proton-induced fixed positive charge at the Si(100)-SiO2 interface. |
| title_fullStr | Proton-induced fixed positive charge at the Si(100)-SiO2 interface. |
| title_full_unstemmed | Proton-induced fixed positive charge at the Si(100)-SiO2 interface. |
| title_short | Proton-induced fixed positive charge at the Si(100)-SiO2 interface. |
| title_sort | proton induced fixed positive charge at the si 100 sio2 interface |
| work_keys_str_mv | AT godetj protoninducedfixedpositivechargeatthesi100sio2interface AT giustinof protoninducedfixedpositivechargeatthesi100sio2interface AT pasquarelloa protoninducedfixedpositivechargeatthesi100sio2interface |