Computation of Electronic Energy Band Diagrams for Piezotronic Semiconductor and Electrochemical Systems,Advanced Electronic Materials

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Computation of Electronic Energy Band Diagrams for Piezotronic Semiconductor and Electrochemical Systems
Advanced Electronic Materials ( IF 5.3 ) Pub Date : 2018-01-23 , DOI: 10.1002/aelm.201700395
Lazarus N. German ₁ , Matthew B. Starr ₁ , Xudong Wang ₁

Affiliation

Electronic energy band diagrams provide useful and illustrative information on how material stacking might affect electronic properties and charge transport throughout a multijunction device. However, schematic diagrams, which are often used in many publications, lack quantified changes in potential across junction interfaces. This is especially true as the energetics become increasingly unintuitive when incorporating the effects of dielectric layers and applying ferroelectric and piezoelectric charges, such as the case of piezotronics. In the paper, a quantitative band diagram computation of a series of complex heterojunctions often seen in piezotronic systems is provided. The computation is conducted by using fundamental semiconductor and electrochemical equations, idealizing metals, insulators, and ferroelectrics, and treating ferro‐ and piezoelectric dipoles as surface charges at their respective interfaces. A Mathematica code is used to produce potential profiles and energy band diagrams of sections of semiconductor‐based electrochemical electrodes. It is illustrated that the ferro‐ and piezoelectric properties have a profound effect on solid–solid heterojunctions and solid–electrolyte interfaces, offering a guideline for piezotronic system design and development.

中文翻译：

压电半导体和电化学系统的电子能带图的计算

电子能带图提供了有关材料堆叠如何影响电子特性以及整个多结器件中电荷传输的有用和说明性信息。但是，在许多出版物中经常使用的示意图缺乏跨结界面电位的量化变化。尤其如此，因为当结合介电层的影响并施加铁电和压电电荷时，例如压电技术，能量学变得越来越不直观。在本文中，提供了在压电系统中经常看到的一系列复杂异质结的定量能带图计算。通过使用基本的半导体和电化学方程式，理想化金属，绝缘体和铁电体来进行计算，并将铁偶极和压电偶极子视为它们各自界面处的表面电荷。Mathematica代码用于生成基于半导体的电化学电极各部分的电势曲线和能带图。可以看出，铁和压电特性对固体-固体异质结和固体-电解质界面产生了深远的影响，为压电系统的设计和开发提供了指导。

更新日期：2018-01-23

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