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arXiv 1808.06153cond-mat.mtrl-sci
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二硫化铁中间隙氢的局域电子结构

Local Electronic Structure of Interstitial Hydrogen in Iron Disulfide

H. Okabe, M. Hiraishi, S. Takeshita, A. Koda, K. M. Kojima, R. Kadono

备注：
6 pages, 5 figures
发表信息：
Phys. Rev. B 98, 075210 (2018)
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摘要：

化合物半导体FeS $_2$（自然为$n$型）中间隙氢的电子结构由μ子研究推断。注入的μ子（μ，一种伪氢）形成电子上不同的缺陷中心，这些缺陷中心通过超精细参数（$ω_{\rm hf}$）来识别。大量的证据表明，一个μ介子位于一个铁角四面体的中心，具有几乎各向同性的$ω_{\rm hf}$（Mu $_{\rm p}$），另一个以抗磁态存在（Mu $_{\rm d}$，$ω_{\rm hf}\simeq 0$）。它们对热搅动的响应表明Mu $_{\rm d}$中心伴随着由有效质量模型理解的浅能级（施主或受主），而Mu $_{\rm p}$中心的电子结构比Mu $_{\rm d}$更远离主体，形成更深的施主能级。这些观察结果表明，间隙氢也作为一个电子活性杂质在FeS $_2$。本文还在前人报道的FeS $_2$中氢扩散的基础上，讨论了Mu $_{\rm p}$的快速扩散导致形成复合缺陷态（Mu $^*_{\rm d}$，$T\le 100$ K）或运动窄化态（Mu $^*_{\rm p}$，$T\ge 150$ K）的可能性。

英文摘要：

The electronic structure of interstitial hydrogen in a compound semiconductor FeS$_2$ (naturally $n$-type) is inferred from a muon study. An implanted muon (Mu, a pseudo-hydrogen) forms electronically different defect centers discerned by the hyperfine parameter ($ω_{\rm hf}$). A body of evidence indicates that one muon is situated at the center of an iron-cornered tetrahedron with nearly isotropic $ω_{\rm hf}$ (Mu$_{\rm p}$), and that the other exists as a diamagnetic state (Mu$_{\rm d}$, $ω_{\rm hf}\simeq 0$). Their response to thermal agitation indicates that the Mu$_{\rm d}$ center accompanies a shallow level (donor or acceptor) understood by effective mass model while the electronic structure of Mu$_{\rm p}$ center is more isolated from host than Mu$_{\rm d}$ to form a deeper donor level. These observations suggest that interstitial hydrogen also serves as an electronically active impurity in FeS$_2$. Based on earlier reports on the hydrogen diffusion in FeS$_2$, possibility of fast diffusion for Mu$_{\rm p}$ leading to formation of a complex defect state (Mu$^*_{\rm d}$, $T\le 100$ K) or to motional narrowing state (Mu$^*_{\rm p}$, $T\ge 150$ K) is also discussed.

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