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氧化物半导体薄膜中的连续控制光带隙。

Continuously Controlled Optical Band Gap in Oxide Semiconductor Thin Films.

机构信息

Materials Science and Technology Division, ORNL , Bethel Valley Road, Oak Ridge, Tennessee 37831-6056, United States.

Renewable Energies Laboratory - Photovoltaics, National Institute for Research and Development in Electrochemistry and Condensed Matter , Timisoara 300569, Romania.

出版信息

Nano Lett. 2016 Mar 9;16(3):1782-6. doi: 10.1021/acs.nanolett.5b04815. Epub 2016 Feb 9.

Abstract

The optical band gap of the prototypical semiconducting oxide SnO2 is shown to be continuously controlled through single axis lattice expansion of nanometric films induced by low-energy helium implantation. While traditional epitaxy-induced strain results in Poisson driven multidirectional lattice changes shown to only allow discrete increases in bandgap, we find that a downward shift in the band gap can be linearly dictated as a function of out-of-plane lattice expansion. Our experimental observations closely match density functional theory that demonstrates that uniaxial strain provides a fundamentally different effect on the band structure than traditional epitaxy-induced multiaxes strain effects. Charge density calculations further support these findings and provide evidence that uniaxial strain can be used to drive orbital hybridization inaccessible with traditional strain engineering techniques.

摘要

通过低能氦离子注入诱导的纳米薄膜单轴晶格膨胀,实现了对典型半导体氧化物 SnO2 的光学带隙的连续调控。虽然传统的外延应变诱导的应变导致泊松驱动的各向同性晶格变化,仅允许带隙的离散增加,但我们发现,带隙的向下移动可以作为面外晶格膨胀的线性函数来精确控制。我们的实验观察结果与密度泛函理论非常吻合,该理论表明,与传统的外延应变诱导的多轴应变效应相比,单轴应变对能带结构有根本不同的影响。电荷密度计算进一步支持了这些发现,并提供了证据表明,单轴应变可用于驱动传统应变工程技术无法实现的轨道杂化。

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