Espalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)

Detalhes bibliográficos
Autor(a) principal: Joucoski, Emerson
Data de Publicação: 2002
Tipo de documento: Dissertação
Idioma: por
Título da fonte: Repositório Institucional da UFPR
Texto Completo: https://hdl.handle.net/1884/40555
Resumo: Orientador : Márcio Henrique Franco Bettega
id UFPR_05922feae17b3793838c167a54abf8cf
oai_identifier_str oai:acervodigital.ufpr.br:1884/40555
network_acronym_str UFPR
network_name_str Repositório Institucional da UFPR
repository_id_str 308
spelling Universidade Federal do Paraná. Setor de Ciências Exatas. Programa de Pós-Graduação em FísicaBettega, Marcio Henrique Franco, 1964-Joucoski, Emerson2024-03-21T12:05:52Z2024-03-21T12:05:52Z2002https://hdl.handle.net/1884/40555Orientador : Márcio Henrique Franco BettegaDissertação (mestrado) - Universidade Federal do Paraná, Setor de Ciências Exatas, Programa de Pós Graduação em FísicaResumo: We present results of calculations of integral cross sections, differential cross sections and momentum transfer cross sections for elastic scattering of low-energy electrons by NF3 and SnY4 (Y=C1, Br, I) molecules. Our calculations were performed with the Schwinger multichannel method with pseudopotentials at the fixed-nuclei static-exchange approximation. For e~-NF3 collisions we have compared our results with the experimental results of Boesten et al. and with the theoretical results of Rescigno, obtained with the complex Kohn variational method, and found in general good agreement. We have also obtained the symmetry decomposition for the NF3 integral cross section according to the C3t, group, for the Ai, E, and A2 representations. We have found two independet shape resonances for NF3: one for the A4 representation and the other for the E representation. We have also found that the NF3 molecule dissociates through electron attachment along the N-F bond. The shape resonance for the E representation is responsible for this dissociation that produces mainly F" ions. In order to improve the position of the shape resonances, we have also included polarization effects in the e- -NF3 collision cross sections calculations and compared our results with those of Boesten et al. and Rescigno. We also present results of our study on electron scattering by SnY4 (Y=C1, Br, I) molecules. We have covered the energy range from 5 eV up to 40 eV. We have carried out a comparative study of the cross sections of the XY4 (X=C, Si, Ge, Sn; Y=C1, Br, I) molecules, using for this purpose some previous published results. We have obtained the symmetry decomposition of the integral cross section according to the T^ group for each one of the above molecules. Our results show that the cross section for a given representation of the T d group presents the same pattern for all studied carbon, silicon, germanium, and tin tetrahalides.Abstract: We present results of calculations of integral cross sections, differential cross sections and momentum transfer cross sections for elastic scattering of low-energy electrons by NF3 and SnY4 (Y=C1, Br, I) molecules. Our calculations were performed with the Schwinger multichannel method with pseudopotentials at the fixed-nuclei static-exchange approximation. For e~-NF3 collisions we have compared our results with the experimental results of Boesten et al. and with the theoretical results of Rescigno, obtained with the complex Kohn variational method, and found in general good agreement. We have also obtained the symmetry decomposition for the NF3 integral cross section according to the C3t, group, for the Ai, E, and A2 representations. We have found two independet shape resonances for NF3: one for the A4 representation and the other for the E representation. We have also found that the NF3 molecule dissociates through electron attachment along the N-F bond. The shape resonance for the E representation is responsible for this dissociation that produces mainly F" ions. In order to improve the position of the shape resonances, we have also included polarization effects in the e- -NF3 collision cross sections calculations and compared our results with those of Boesten et al. and Rescigno. We also present results of our study on electron scattering by SnY4 (Y=C1, Br, I) molecules. We have covered the energy range from 5 eV up to 40 eV. We have carried out a comparative study of the cross sections of the XY4 (X=C, Si, Ge, Sn; Y=C1, Br, I) molecules, using for this purpose some previous published results. We have obtained the symmetry decomposition of the integral cross section according to the T^ group for each one of the above molecules. Our results show that the cross section for a given representation of the T d group presents the same pattern for all studied carbon, silicon, germanium, and tin tetrahalides.105p. : il., grafs.application/pdfDisponível em formato digitalEspalhamento elasticoFísicaEspalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/masterThesisporreponame:Repositório Institucional da UFPRinstname:Universidade Federal do Paraná (UFPR)instacron:UFPRinfo:eu-repo/semantics/openAccessTEXTD - EMERSON JOUCOSKI.pdf.txtExtracted Texttext/plain171413https://acervodigital.ufpr.br/bitstream/1884/40555/1/D%20-%20EMERSON%20JOUCOSKI.pdf.txt65b1fc0d72401eeb7eea4df87e098e07MD51open accessORIGINALD - EMERSON JOUCOSKI.pdfapplication/pdf3834369https://acervodigital.ufpr.br/bitstream/1884/40555/2/D%20-%20EMERSON%20JOUCOSKI.pdf0636e9d942c4b629bea94d48a4b258c4MD52open accessTHUMBNAILD - EMERSON JOUCOSKI.pdf.jpgGenerated Thumbnailimage/jpeg1360https://acervodigital.ufpr.br/bitstream/1884/40555/3/D%20-%20EMERSON%20JOUCOSKI.pdf.jpgd7a10db5a2e9048ca6f31c5ae409281eMD53open access1884/405552024-03-21 09:05:52.69open accessoai:acervodigital.ufpr.br:1884/40555Repositório de PublicaçõesPUBhttp://acervodigital.ufpr.br/oai/requestopendoar:3082024-03-21T12:05:52Repositório Institucional da UFPR - Universidade Federal do Paraná (UFPR)false
dc.title.pt_BR.fl_str_mv Espalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)
title Espalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)
spellingShingle Espalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)
Joucoski, Emerson
Espalhamento elastico
Física
title_short Espalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)
title_full Espalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)
title_fullStr Espalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)
title_full_unstemmed Espalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)
title_sort Espalhamento elástico de elétrons por moléculas de NF3 e SnY4 (Y=Cl, Br, I)
author Joucoski, Emerson
author_facet Joucoski, Emerson
author_role author
dc.contributor.other.pt_BR.fl_str_mv Universidade Federal do Paraná. Setor de Ciências Exatas. Programa de Pós-Graduação em Física
dc.contributor.advisor1.fl_str_mv Bettega, Marcio Henrique Franco, 1964-
dc.contributor.author.fl_str_mv Joucoski, Emerson
contributor_str_mv Bettega, Marcio Henrique Franco, 1964-
dc.subject.por.fl_str_mv Espalhamento elastico
Física
topic Espalhamento elastico
Física
description Orientador : Márcio Henrique Franco Bettega
publishDate 2002
dc.date.issued.fl_str_mv 2002
dc.date.accessioned.fl_str_mv 2024-03-21T12:05:52Z
dc.date.available.fl_str_mv 2024-03-21T12:05:52Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/masterThesis
format masterThesis
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://hdl.handle.net/1884/40555
url https://hdl.handle.net/1884/40555
dc.language.iso.fl_str_mv por
language por
dc.relation.pt_BR.fl_str_mv Disponível em formato digital
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 105p. : il., grafs.
application/pdf
dc.source.none.fl_str_mv reponame:Repositório Institucional da UFPR
instname:Universidade Federal do Paraná (UFPR)
instacron:UFPR
instname_str Universidade Federal do Paraná (UFPR)
instacron_str UFPR
institution UFPR
reponame_str Repositório Institucional da UFPR
collection Repositório Institucional da UFPR
bitstream.url.fl_str_mv https://acervodigital.ufpr.br/bitstream/1884/40555/1/D%20-%20EMERSON%20JOUCOSKI.pdf.txt
https://acervodigital.ufpr.br/bitstream/1884/40555/2/D%20-%20EMERSON%20JOUCOSKI.pdf
https://acervodigital.ufpr.br/bitstream/1884/40555/3/D%20-%20EMERSON%20JOUCOSKI.pdf.jpg
bitstream.checksum.fl_str_mv 65b1fc0d72401eeb7eea4df87e098e07
0636e9d942c4b629bea94d48a4b258c4
d7a10db5a2e9048ca6f31c5ae409281e
bitstream.checksumAlgorithm.fl_str_mv MD5
MD5
MD5
repository.name.fl_str_mv Repositório Institucional da UFPR - Universidade Federal do Paraná (UFPR)
repository.mail.fl_str_mv
_version_ 1801860526774419456

Registros relacionados