Muonium donor in rutile TiO2 and comparison with hydrogen

abstract

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.

keywords

II-VI; SEMICONDUCTORS; OXIDE; STATES; EPR

subject category

Physics

authors

Vilao, RC; Vieira, RBL; Alberto, HV; Gil, JM; Weidinger, A; Lichti, RL; Baker, BB; Mengyan, PW; Lord, JS

our authors

acknowledgements

The technical help of the mu SR team at ISIS is gratefully acknowledged. This work was supported with funds from (i) FEDER (Programa Operacional Factores de Competitividade COMPETE) and from FCT-Fundacao para a Ciencia e Tecnologia under projects PEst-OE/FIS/UI0036/2014 and PTDC/FIS/102722/2008, (ii) European Commission under the 7th Framework Programme through the

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