title: First-principles properties of an intermediate band material based on Ti-implanted silicon creator: Sánchez Noriega, Kefrén creator: Aguilera Bonet, Irene creator: Palacios Clemente, Pablo creator: Wahnón Benarroch, Perla subject: Telecommunications description: A first-principles study is aimed to reveal the properties of a crystalline Ti-implanted Si compound obtained experimentally with a Ti concentration clearly above the corresponding equilibrium solubility limit and high enough to be capable of presenting an electronic intermediate band brought about by Ti 3d electrons instead of the well-known impurity levels structure. Interstitial, substitutional and other Ti implantation processes are considered, as well as several possible mixtures of them, in order to clarify the origin of a donor-kind transition observed experimentally at about 0.36 eV. Also the possibility of obtaining an intermediate band from the studied compound is considered. When convenient, calculations of magnetic and optical properties were carried out to help to identify this potential intermediate band material. publisher: E.T.S.I. Telecomunicación (UPM) rights: https://creativecommons.org/licenses/by-nc-nd/3.0/es/ date: 2009 type: info:eu-repo/semantics/conferenceObject type: Presentation at Congress or Conference source: Proceedings of the 24th European Photovoltaic Solar Energy Conference | 24th European Photovoltaic Solar Energy Conference | 21-25 Sept 2009 | Hamburgo, Alemania type: NonPeerReviewed format: application/pdf language: eng relation: info:eu-repo/grantAgreement/MINECO//CSD2006-000 relation: info:eu-repo/grantAgreement/MINECO//MAT2009-14625-C03-01 rights: info:eu-repo/semantics/openAccess identifier: https://oa.upm.es/62837/