Publication
Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling
| Summary: | Si1-xGex nanocrystals (NCs) of different composition and size were generated using the Molecular Dynamics (MD) method by minimizing NC’s total energy calculated using Tersoff’s empirical potential and applying rigid boundary conditions. The dynamical matrix of the relaxed NC was constructed and the NC phonon modes were calculated. The localisation of the principal (Si-Si, Si-Ge and Ge-Ge) modes is investigated by analysing their inverse participation ratio. The dependence of the corresponding Raman spectra, obtained by employing the bond polarisability model, upon x and the NC size is presented and compared to previous calculated results and available experimental data. |
|---|---|
| Main Authors: | Vasin, Alexander |
| Other Authors: | Vikhrova, Olga; Vasilevskiy, Mikhail |
| Subject: | Nanocrystal Alloying Phonon Raman scattering |
| Year: | 2013 |
| Country: | Portugal |
| Document type: | conference paper |
| Access type: | open access |
| Associated institution: | Universidade do Minho |
| Language: | English |
| Origin: | RepositóriUM - Universidade do Minho |
| _version_ | 1867439853725024256 |
|---|---|
| author | Vasin, Alexander |
| author2 | Vikhrova, Olga Vasilevskiy, Mikhail |
| author2_role | author author |
| author_facet | Vasin, Alexander Vikhrova, Olga Vasilevskiy, Mikhail |
| author_role | author |
| contributor_name_str_mv | RepositóriUM - Universidade do Minho |
| country_str | PT |
| creators_json_txt | [{\"Person.name\":\"Vasin, Alexander\"},{\"Person.name\":\"Vikhrova, Olga\"},{\"Person.name\":\"Vasilevskiy, Mikhail\"}] |
| datacite.contributors.contributor.contributorName.fl_str_mv | RepositóriUM - Universidade do Minho |
| datacite.creators.creator.creatorName.fl_str_mv | Vasin, Alexander Vikhrova, Olga Vasilevskiy, Mikhail |
| datacite.date.Accepted.fl_str_mv | 2013-03-05T00:00:00Z |
| datacite.date.available.fl_str_mv | 2014-01-03T09:53:39Z |
| datacite.date.embargoed.fl_str_mv | 2014-01-03T09:53:39Z |
| datacite.rights.fl_str_mv | http://purl.org/coar/access_right/c_abf2 |
| datacite.subjects.subject.fl_str_mv | Nanocrystal Alloying Phonon Raman scattering |
| datacite.titles.title.fl_str_mv | Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling |
| dc.contributor.none.fl_str_mv | RepositóriUM - Universidade do Minho |
| dc.creator.none.fl_str_mv | Vasin, Alexander Vikhrova, Olga Vasilevskiy, Mikhail |
| dc.date.Accepted.fl_str_mv | 2013-03-05T00:00:00Z |
| dc.date.available.fl_str_mv | 2014-01-03T09:53:39Z |
| dc.date.embargoed.fl_str_mv | 2014-01-03T09:53:39Z |
| dc.format.none.fl_str_mv | application/pdf |
| dc.identifier.none.fl_str_mv | https://hdl.handle.net/1822/27380 |
| dc.language.none.fl_str_mv | eng |
| dc.publisher.none.fl_str_mv | Wiley-VCH Verlag |
| dc.rights.none.fl_str_mv | http://purl.org/coar/access_right/c_abf2 |
| dc.subject.none.fl_str_mv | Nanocrystal Alloying Phonon Raman scattering |
| dc.title.fl_str_mv | Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling |
| dc.type.none.fl_str_mv | http://purl.org/coar/resource_type/c_5794 |
| description | Si1-xGex nanocrystals (NCs) of different composition and size were generated using the Molecular Dynamics (MD) method by minimizing NC’s total energy calculated using Tersoff’s empirical potential and applying rigid boundary conditions. The dynamical matrix of the relaxed NC was constructed and the NC phonon modes were calculated. The localisation of the principal (Si-Si, Si-Ge and Ge-Ge) modes is investigated by analysing their inverse participation ratio. The dependence of the corresponding Raman spectra, obtained by employing the bond polarisability model, upon x and the NC size is presented and compared to previous calculated results and available experimental data. |
| dirty | 0 |
| eu_rights_str_mv | openAccess |
| format | conferencePaper |
| fulltext.url.fl_str_mv | https://repositorium.uminho.pt/bitstreams/9e0f0390-a2b0-4657-ae6f-651258cc7c83/download |
| id | rum_da4c81fbaac7b5ea6fa74751c3f4fe61 |
| identifier.url.fl_str_mv | https://hdl.handle.net/1822/27380 |
| instacron_str | repositorium |
| institution | Universidade do Minho |
| instname_str | Universidade do Minho |
| language | eng |
| network_acronym_str | rum |
| network_name_str | RepositóriUM - Universidade do Minho |
| oai_identifier_str | oai:repositorium.uminho.pt:1822/27380 |
| organization_str_mv | urn:organizationAcronym:repositorium |
| person_str_mv | Vasin, Alexander Vikhrova, Olga Vasilevskiy, Mikhail |
| publishDate | 2013 |
| publisher.none.fl_str_mv | Wiley-VCH Verlag |
| reponame_str | RepositóriUM - Universidade do Minho |
| repository_id_str | urn:repositoryAcronym:rum |
| service_str_mv | urn:repositoryAcronym:rum |
| spelling | engWiley-VCH VerlagporSi1-xGex nanocrystals (NCs) of different composition and size were generated using the Molecular Dynamics (MD) method by minimizing NC’s total energy calculated using Tersoff’s empirical potential and applying rigid boundary conditions. The dynamical matrix of the relaxed NC was constructed and the NC phonon modes were calculated. The localisation of the principal (Si-Si, Si-Ge and Ge-Ge) modes is investigated by analysing their inverse participation ratio. The dependence of the corresponding Raman spectra, obtained by employing the bond polarisability model, upon x and the NC size is presented and compared to previous calculated results and available experimental data.application/pdfporPhonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modellingVasin, AlexanderVikhrova, OlgaVasilevskiy, MikhailHostingInstitutionOrganizationalRepositóriUM - Universidade do Minhoe-mailmailto:repositorium@usdb.uminho.ptrepositorium@usdb.uminho.ptCITATIONPhys. Status Solidi C 10, No. 4, 701–704 (2013)ISSNIsPartOf1862-6270DOIIsPartOf10.1002/pssc.2012008012014-01-03T09:53:39Z2013-03-052012-10-072013-03-05T00:00:00ZHandlehttps://hdl.handle.net/1822/27380http://purl.org/coar/access_right/c_abf2open accessNanocrystalAlloyingPhononRaman scattering116426 bytesother research producthttp://purl.org/coar/resource_type/c_5794conference paperhttp://purl.org/coar/access_right/c_abf2application/pdffulltexthttps://repositorium.uminho.pt/bitstreams/9e0f0390-a2b0-4657-ae6f-651258cc7c83/download |
| spellingShingle | Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling Vasin, Alexander Nanocrystal Alloying Phonon Raman scattering |
| status | SINGLETON |
| subject.fl_str_mv | Nanocrystal Alloying Phonon Raman scattering |
| title | Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling |
| title_full | Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling |
| title_fullStr | Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling |
| title_full_unstemmed | Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling |
| title_short | Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling |
| title_sort | Phonon modes and raman scattering in SixGe1-x nanocrystals: microscopic modelling |
| topic | Nanocrystal Alloying Phonon Raman scattering |
| topic_facet | Nanocrystal Alloying Phonon Raman scattering |
| url | https://hdl.handle.net/1822/27380 |
| visible | 1 |