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Computation of Electronic Energy Band Diagrams for Piezotronic Semiconductor and Electrochemical Systems
Author(s) -
German Lazarus N.,
Starr Matthew B.,
Wang Xudong
Publication year - 2018
Publication title -
advanced electronic materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.25
H-Index - 56
ISSN - 2199-160X
DOI - 10.1002/aelm.201700395
Subject(s) - band diagram , heterojunction , materials science , semiconductor , piezoelectricity , computation , electronic band structure , optoelectronics , stacking , computer science , condensed matter physics , physics , composite material , algorithm , nuclear magnetic resonance
Abstract 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.