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تسجيل مستخدم جديدElectronic structure of shallow donor state associated with muonium in rutile TiO$_2$
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The hyperfine structure of the interstitial muonium (Mu) center in rutile (TiO$_2$, weakly $n$-type) has been identified by means of muon spin rotation technique. The angle-resolved hyperfine parameter has a tetragonal anisotropy within the $ab$ plane and axial anisotropy along the $c$ axis, strongly suggesting that Mu simulates the known local structure of interstitial hydrogen (H) located at an off-center position within a channel along $c$ axis, and the electron wave function bound to Mu is highly delocalized (~1.5 nm along $c$ axis, ~0.8 nm for $a$ axis). The ionization energy of Mu ($rightarrow mu^+ + e^-$) due to thermal activation is deduced to be 1.2(4) meV, as is directly inferred from the disappearance of Mu signal above ~8 K. These observations suggest that electronic level associated with Mu (as well as H) is situated near the bottom of the conduction band, serving as a shallow donor state in rutile.
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The hyperfine structure of the interstitial muonium (Mu) in rutile (TiO$_2$, weakly $n$-type) has been identified by means of a muon spin rotation technique. The angle-resolved hyperfine parameters exhibit a tetragonal anisotropy within the $ab$ plan
e and axial anisotropy with respect to the $langle 001rangle$ ($hat{c}$) axis. This strongly suggests that the Mu is bound to O (forming an OH bond) at an off-center site within a channel along the $hat{c}$ axis, while the unpaired Mu electron is localized around the neighboring Ti site. The hyperfine parameters are quantitatively explained by a model that considers spin polarization of the unpaired electron at both the Ti and O sites, providing evidence for the formation of Mu as a Ti-O-Mu complex paramagnetic state. The disappearance of the Mu signal above $sim$10 K suggests that the energy necessary for the promotion of the unpaired electron to the conduction band by thermal activation is of the order of $10^1$ meV. These observations suggest that, while the electronic structure of Mu (and hence H) differs considerably from that of the conventional shallow level donor described by the effective mass model, Mu supplies a loosely bound electron, and thus, serves as a donor in rutile.
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