Local electronic structure of dilute hydrogen in β-Ga2O3 probed by muons
Local electronic structure of dilute hydrogen in β-Ga2O3 probed by muons
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μ子探测β-Ga2O3中稀氢的局域电子结构
DOI：
10.1103/physrevb.107.l041201
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发表时间：
2023
影响因子：
3.7
通讯作者：
Hosono H.
中科院分区：
文献类型：
--
作者：
Hiraishi M.;Okabe H.;Koda A.;Kadono R.;Ohsawa T.;Ohashi N.;Ide K.;Kamiya T.;Hosono H.
本文用μ子自旋旋转/弛豫方法研究了单晶中μ子作为稀赝氢时的局域电子结构。高精度的测量在很长的时间范围内的25μs已经清楚地确定了两个不同的μ状态：准静态μ和快速移动的μ。通过比较这一结果与最近建立的双极性模型的预测，这两个国家分别归因于弛豫激发态的施主和受主能级的密度泛函理论（DFT）计算预测的间隙H。此外，发现的局部电子结构是与三配位氧的OMU键合态。该结构与H的热平衡态几乎相同，并且被发现起电子供体的作用。另一种被认为是在氢化物状态从双极性模型，这表明它是在快速扩散运动，通过短暂的中性状态，由于电荷交换反应与导电电子。
The local electronic structure of muons (Mu) as dilute pseudohydrogen in single-crystallinehas been studied by the muon spin rotation/relaxation. High-precision measurements over a long time range of ∼25µs have clearly identified two distinct Mu states: a quasistatic Muand fast-moving Mu. By comparing this result with predictions from the recently established ambipolarity model, these two states are respectively attributed to the relaxed-excited states associated with the donorand acceptorlevels predicted by density functional theory (DFT) calculations for the interstitial H. Furthermore, the local electronic structure ofis found to be an OMu-bonded state with three-coordinated oxygen. The structure is almost identical with the thermal equilibrium state of H, and it is found to function as an electron donor. The otheris considered to be in the hydride statefrom the ambipolarity model, suggesting that it is in fast diffusion motion through the short-lived neutral state due to the charge exchange reaction with conduction electrons.