e-Journal of Surface Science and Nanotechnology
Online ISSN : 1348-0391
ISSN-L : 1348-0391
Review Paper
Hydrogen-Ti3+ Complex as a Possible Origin of Localized Electron Behavior in Hydrogen-Irradiated SrTiO3
Takashi U. Ito
ジャーナル オープンアクセス

2022 年 20 巻 3 号 p. 128-134


A recent muon spin rotation (μ+SR) study on a paramagnetic defect complex formed upon implantation of μ+ pseudo-proton into SrTiO3 is reviewed with a specific focus on the relation with experimental signatures of coexisting delocalized and localized electrons in hydrogen-irradiated metallic SrTiO3 films. The paramagnetic defect complex, composed of interstitial μ+ and Ti3+ small polaron, is characterized by a small dissociation energy of about 30 meV. Density functional theory (DFT) calculations in the generalized gradient approximation (GGA) + U scheme for a corresponding hydrogen defect complex reveal that a thermodynamic donor level associated with electron transfer from an H+—Ti3+ complex to the conduction band can form just below the conduction band minimum for realistic U values. These findings suggest that the coexistence of delocalized and localized electrons can be realized in hydrogen-irradiated SrTiO3 in electron-rich conditions.

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