The muonium donor in rutile TiO2 and comparison with hydrogen

• Autor(a) principal: Vilão, R. C.
• Data de Publicação: 2015
• Outros Autores: Vieira, R. B. L., Alberto, H. V., Gil, J. M., Weidinger, A., Lichti, R. L., Baker, B. B., Mengyan, P. W., Lord, J. S.
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
• Texto Completo: http://hdl.handle.net/10316/43144; https://doi.org/10.1103/PhysRevB.92.081202

Muonium, a positive muon and an electron, is often used as an experimentally accessible substitute for hydrogen in materials research. In semiconductors and insulators, a large amount of information on the hydrogen behavior is deduced from this analogy; however, it is seldom demonstrated that this procedure is justified. We show here, via a comparison of the hyperfine interactions, that in TiO2 muonium and hydrogen form the same configuration with the same basic electronic structure. A detailed description of the bonding characteristics of the muon to the Ti3+ polaron is presented. The special role of muon motion within the so-called oxygen channel in the rutile structure, which occurs at a lower temperature than for hydrogen, is emphasized.