Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction
Surface termination control of charge transfer and band alignment across a semiconductor–crystalline-oxide heterojunction
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半导体晶体氧化物异质结上电荷转移和能带排列的表面终止控制
DOI：
10.1103/physrevmaterials.7.084604
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发表时间：
2023
影响因子：
3.4
通讯作者：
Ngai, Joseph H.
中科院分区：
文献类型：
--
作者：
Chrysler, Matthew;Gabel, Judith;Lee, Tien-Lin;Zhu, Zihua;Kaspar, Tiffany C.;Bowden, Mark;Sushko, Peter V.;Chambers, Scott A.;Ngai, Joseph H.
异质结之间的电荷重新分布长期以来一直被用来诱导材料系统中的功能响应。在这里，我们研究如何终止表面的组合物影响电荷转移的异质结组成的Si和晶体复合氧化物。由于表面耗尽，Si中的电子在界面上向表面迁移.电子转移又在界面上产生电场，改变了与硅之间键合相关的界面偶极子。偶极子的改变导致能带排列的变化，其中的导带从能量上高于Si的价带移动到其之下。通过在表面上覆盖纳米（nm）的BaO、SrO或，可以减弱或抑制穿过界面的电荷转移。从头算模型暗示与暴露于环境条件相关的氧的吸附是驱动表面耗尽的原因。表面和掩埋界面之间的电子耦合扩展了半导体-晶体-氧化物异质结的功能。
Charge redistribution across heterojunctions has long been utilized to induce functional response in materials systems. Here we examine how the composition of the terminating surface affects charge transfer across a heterojunction consisting of Si and the crystalline complex oxide. Itinerant electrons in Si migrate across the interface toward the surface ofdue to surface depletion. The electron transfer in turn creates an electric field across the interface that modifies the interfacial dipole associated with bonding betweenand Si. The modification in the dipole leads to a change in band alignment, in which the conduction band ofmoves from being above the valence band of Si in energy, to below it. By capping thesurface with ultrathin (nm) layers of BaO, SrO, or, charge transfer across the interface can be weakened or inhibited.Ab initiomodeling implicates the adsorption of oxygen associated with exposure to ambient conditions as driving the surface depletion in. The electronic coupling between the surface and buried interface expands the functionality of semiconductor–crystalline-oxide heterojunctions.
影响因子：
2.9
作者：
Chambers, Scott A.;Du, Yingge
通讯作者：
Du, Yingge
O2 在 SrTiO3 (100)−(1 × 1) 表面的吸附
影响因子：
2.8
作者：
V. Bermudez;V. H. Ritz
通讯作者：
V. H. Ritz
影响因子：
17.3
作者：
A. Stuart
通讯作者：
A. Stuart