Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces.
By means of first-principles calculations we studied the decomposition pathways of SiH₃ on Ge(100) and of GeH₃ on Si(100), of interest for the growth of crystalline SiGe alloys and Si/Ge heterostructures by plasma-enhanced chemical vapor deposition. We also investigated H desorption via reaction of...
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| Format: | Journal article |
| Language: | English |
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2012
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| _version_ | 1797097387134550016 |
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| author | Ceriotti, M Montalenti, F Bernasconi, M |
| author_facet | Ceriotti, M Montalenti, F Bernasconi, M |
| author_sort | Ceriotti, M |
| collection | OXFORD |
| description | By means of first-principles calculations we studied the decomposition pathways of SiH₃ on Ge(100) and of GeH₃ on Si(100), of interest for the growth of crystalline SiGe alloys and Si/Ge heterostructures by plasma-enhanced chemical vapor deposition. We also investigated H desorption via reaction of two adsorbed SiH₂/GeH₂ species (β₂ reaction) or via Eley-Rideal abstraction of surface H atoms from the impinging SiH₃ and GeH₃ species. The calculated activation energies for the different processes suggest that the rate-limiting step for the growth of Si/Ge systems is still the β₂ reaction of two SiH₂ as in the growth of crystalline Si. |
| first_indexed | 2024-03-07T04:54:45Z |
| format | Journal article |
| id | oxford-uuid:d634e691-d809-435b-80bc-cb48fadc8f9b |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T04:54:45Z |
| publishDate | 2012 |
| record_format | dspace |
| spelling | oxford-uuid:d634e691-d809-435b-80bc-cb48fadc8f9b2022-03-27T08:31:46ZDensity functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces.Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:d634e691-d809-435b-80bc-cb48fadc8f9bEnglishSymplectic Elements at Oxford2012Ceriotti, MMontalenti, FBernasconi, MBy means of first-principles calculations we studied the decomposition pathways of SiH₃ on Ge(100) and of GeH₃ on Si(100), of interest for the growth of crystalline SiGe alloys and Si/Ge heterostructures by plasma-enhanced chemical vapor deposition. We also investigated H desorption via reaction of two adsorbed SiH₂/GeH₂ species (β₂ reaction) or via Eley-Rideal abstraction of surface H atoms from the impinging SiH₃ and GeH₃ species. The calculated activation energies for the different processes suggest that the rate-limiting step for the growth of Si/Ge systems is still the β₂ reaction of two SiH₂ as in the growth of crystalline Si. |
| spellingShingle | Ceriotti, M Montalenti, F Bernasconi, M Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces. |
| title | Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces. |
| title_full | Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces. |
| title_fullStr | Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces. |
| title_full_unstemmed | Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces. |
| title_short | Density functional study of the decomposition pathways of SiH₃ and GeH₃ at the Si(100) and Ge(100) surfaces. |
| title_sort | density functional study of the decomposition pathways of sih₃ and geh₃ at the si 100 and ge 100 surfaces |
| work_keys_str_mv | AT ceriottim densityfunctionalstudyofthedecompositionpathwaysofsih3andgeh3atthesi100andge100surfaces AT montalentif densityfunctionalstudyofthedecompositionpathwaysofsih3andgeh3atthesi100andge100surfaces AT bernasconim densityfunctionalstudyofthedecompositionpathwaysofsih3andgeh3atthesi100andge100surfaces |