Hydrogen role on the properties of amorphous silicon nitride
| Autor(a) principal: | |
|---|---|
| Data de Publicação: | 1999 |
| Outros Autores: | , |
| Tipo de documento: | Artigo |
| Idioma: | eng |
| Título da fonte: | Repositório Institucional da UFBA |
| Texto Completo: | http://www.repositorio.ufba.br/ri/handle/ri/7978 |
Resumo: | p.1843-1847 |
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Mota, F. de BritoJusto, J. F.Fazzio, A.Mota, F. de BritoJusto, J. F.Fazzio, A.2013-01-18T12:30:53Z2013-01-18T12:30:53Z1999-08-150021-8979http://www.repositorio.ufba.br/ri/handle/ri/7978v. 86, n. 4p.1843-1847We have developed an interatomic potential to investigate structural properties of hydrogenated amorphous silicon nitride. The interatomic potential used the Tersoff functional form to describe the Si–Si, Si–N, Si–H, N–H, and H–H interactions. The fitting parameters for all these interactions were found with a set of ab initio and experimental results of the silicon nitride crystalline phase, and of molecules involving hydrogen. We investigated the structural properties of unhydrogenated and hydrogenated amorphous silicon nitride through Monte Carlo simulations. The results show that depending on the nitrogen content, hydrogen has a different chemical preference to bind to either nitrogen or silicon, which is corroborated by experimental findings. Besides, hydrogen incorporation reduced considerably the concentration of undercoordinated atoms in the material, and consequently the concentration of dangling bonds.Submitted by Suelen Reis (suelen_suzane@hotmail.com) on 2013-01-18T12:30:53Z No. of bitstreams: 1 Mota.pdf: 314787 bytes, checksum: 6d548fa5b2f7e4405b25d27a0776ef92 (MD5)Made available in DSpace on 2013-01-18T12:30:53Z (GMT). No. of bitstreams: 1 Mota.pdf: 314787 bytes, checksum: 6d548fa5b2f7e4405b25d27a0776ef92 (MD5) Previous issue date: 1999-08-15http://dx.doi.org/10.1063/1.370977reponame:Repositório Institucional da UFBAinstname:Universidade Federal da Bahia (UFBA)instacron:UFBAsilicon compoundsamorphous statenoncrystalline structurehydrogenab initio calculationsMonte Carlo methodsdangling bondspotential energy functionsHydrogen role on the properties of amorphous silicon nitrideJournal of Applied Physicsinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleenginfo:eu-repo/semantics/openAccessORIGINALMota.pdfMota.pdfapplication/pdf314787https://repositorio.ufba.br/bitstream/ri/7978/1/Mota.pdf6d548fa5b2f7e4405b25d27a0776ef92MD51LICENSElicense.txtlicense.txttext/plain1762https://repositorio.ufba.br/bitstream/ri/7978/2/license.txt1b89a9a0548218172d7c829f87a0eab9MD52TEXTMota.pdf.txtMota.pdf.txtExtracted texttext/plain25001https://repositorio.ufba.br/bitstream/ri/7978/3/Mota.pdf.txt3875acd09d8f96b09cf7c7d94d9d5e49MD53ri/79782022-07-05 14:03:02.792oai:repositorio.ufba.br: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Repositório InstitucionalPUBhttp://192.188.11.11:8080/oai/requestopendoar:19322022-07-05T17:03:02Repositório Institucional da UFBA - Universidade Federal da Bahia (UFBA)false |
| dc.title.pt_BR.fl_str_mv |
Hydrogen role on the properties of amorphous silicon nitride |
| dc.title.alternative.pt_BR.fl_str_mv |
Journal of Applied Physics |
| title |
Hydrogen role on the properties of amorphous silicon nitride |
| spellingShingle |
Hydrogen role on the properties of amorphous silicon nitride Mota, F. de Brito silicon compounds amorphous state noncrystalline structure hydrogen ab initio calculations Monte Carlo methods dangling bonds potential energy functions |
| title_short |
Hydrogen role on the properties of amorphous silicon nitride |
| title_full |
Hydrogen role on the properties of amorphous silicon nitride |
| title_fullStr |
Hydrogen role on the properties of amorphous silicon nitride |
| title_full_unstemmed |
Hydrogen role on the properties of amorphous silicon nitride |
| title_sort |
Hydrogen role on the properties of amorphous silicon nitride |
| author |
Mota, F. de Brito |
| author_facet |
Mota, F. de Brito Justo, J. F. Fazzio, A. |
| author_role |
author |
| author2 |
Justo, J. F. Fazzio, A. |
| author2_role |
author author |
| dc.contributor.author.fl_str_mv |
Mota, F. de Brito Justo, J. F. Fazzio, A. Mota, F. de Brito Justo, J. F. Fazzio, A. |
| dc.subject.por.fl_str_mv |
silicon compounds amorphous state noncrystalline structure hydrogen ab initio calculations Monte Carlo methods dangling bonds potential energy functions |
| topic |
silicon compounds amorphous state noncrystalline structure hydrogen ab initio calculations Monte Carlo methods dangling bonds potential energy functions |
| description |
p.1843-1847 |
| publishDate |
1999 |
| dc.date.issued.fl_str_mv |
1999-08-15 |
| dc.date.accessioned.fl_str_mv |
2013-01-18T12:30:53Z |
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2013-01-18T12:30:53Z |
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info:eu-repo/semantics/publishedVersion |
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info:eu-repo/semantics/article |
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http://www.repositorio.ufba.br/ri/handle/ri/7978 |
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0021-8979 |
| dc.identifier.number.pt_BR.fl_str_mv |
v. 86, n. 4 |
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0021-8979 v. 86, n. 4 |
| url |
http://www.repositorio.ufba.br/ri/handle/ri/7978 |
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openAccess |
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http://dx.doi.org/10.1063/1.370977 |
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