高$κ$掺杂MgO层表面钝化封装ZnO原子层
Surface passivated and encapsulated ZnO atomic layer by high-$κ$ ultrathin MgO layer
摘要：
原子透明的垂直排列的ZnO基范德华材料已开发的表面钝化和封装的MgO原子层使用材料的设计，物理性能进行了研究。钝化和封装导致光学和电子性能的显着改善。MgO与ZnO、ZnO与MgO/ZnO、ZnO与MgO/ZnO/MgO异质界面之间的价带偏移$ΔE_v$分别为0.37 $\pm$ 0.02、-0.05 $\pm$ 0.02、-0.11 $\pm$ 0.02 eV;导带偏移$ΔE_c$被推导为0.97 $\pm$ 0.02、0.46 $\pm$ 0.02和0.59 $\pm$ 0.02 eV，表明MgO和ZnO中的跨越I型，以及ZnO和各种异质结构中交错的II型异质结能带排列。用能带偏移和界面电荷转移解释了超晶格中$n$型导电性的起源。由于载流子限制在层中而增强的光吸收表明MgO是用于封装ZnO基光电子器件的优异的高$κ$介电栅氧化物。
英文摘要：
Atomically transparent vertically aligned ZnO-based van der Waals material have been developed by surface passivation and encapsulation with atomic layers of MgO using materials by design; the physical properties investigated. The passivation and encapsulation led to a remarkable improvement in optical and electronic properties. The valence-band offset $ΔE_v$ between MgO and ZnO, ZnO and MgO/ZnO, and ZnO and MgO/ZnO/MgO heterointerfaces are determined to be 0.37 $\pm$0.02, -0.05$\pm$0.02, and -0.11$\pm$0.02 eV, respectively; the conduction-band offset $ΔE_c$ is deduced to be 0.97$\pm$0.02, 0.46$\pm$0.02, and 0.59$\pm$0.02 eV indicating straddling type-I in MgO and ZnO, and staggering type-II heterojunction band alignment in ZnO and the various heterostructures. The band-offsets and interfacial charge transfer are used to explain the origin of $n$-type conductivity in the superlattices. Enhanced optical absorption due to carrier confinement in the layers demonstrates that MgO is an excellent high-$κ$ dielectric gate oxide for encapsulating ZnO-based optoelectronic devices.
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