Electronic structure of interstitial hydrogen in In-Ga-Zn-O semiconductor simulated by muon

Abstract

We report on the local electronic structure of interstitial muon (Mu) as pseudo-hydrogen in In-Ga-Zn oxide (IGZO) semiconductor studied by muon spin rotation/relaxation ($\mu$SR) experiment. In polycrystalline (c-) IGZO, it is inferred that Mu is in a diamagnetic state, where the $\mu$SR time spectra under zero external field is perfectly described by the Gaussian Kubo-Toyabe relaxation function with the linewidth $\Delta$ serving as a sensitive measure for the random local fields from In/Ga nuclear magnetic moments. The magnitude of $\Delta$ combined with the density functional theory calculations for H (to mimic Mu) suggests that Mu occupies Zn-O bond-center site (Mu${}_{\mathrm{BC}}$) similar to the case in crystalline ZnO. This implies that the diamagnetic state in c-IGZO corresponds to Mu${}_{\mathrm{BC}}^{+}$, thus serving as an electron donor. In amorphous (a-) IGZO, the local Mu structure in as-deposited films is nearly identical with that in c-IGZO, suggesting Mu${}_{\mathrm{BC}}^{+}$ for the electronic state. In contrast, the diamagnetic signal in heavily hydrogenated a-IGZO films exhibits the Lorentzian Kubo-Toyabe relaxation, implying that Mu accompanies more inhomogeneous distribution of the neighboring nuclear spins that may involve Mu${}^{-}$H${}^{-}$-complex state in an oxygen vacancy.

arXiv comment5 pages (in double column), 3 figures

References in corpus (3)

• Electronic structure of the muonium center as a shallow donor in ZnO
• Site-Dilution in quasi one-dimensional antiferromagnet Sr2(Cu1-xPdx)O3: reduction of Neel Temperature and spatial distribution of ordered moment sizes
• Local Electronic Structure of Interstitial Hydrogen in Iron Disulfide

Cited by in corpus (7)

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• Local electronic structure of dilute hydrogen in $\beta$-MnO${}_2$
• Local electronic structure of dilute hydrogen in $\beta$-Ga${}_2$O${}_3$ probed by muons
• Relationship between local hydride ion dynamics and ionic conductivity in LaH${}_{3-2x}$O${}_x$ inferred from muon study