机电耦合离子-电子混合导体的热力学：形变势、Vegard应变和挠曲电效应
Thermodynamics of Electromechanically-Coupled Mixed Ionic-Electronic Conductors: Deformation potential, Vegard strains and Flexoelectric effect
摘要：
在外部电压、电化学电势、电子和离子物质的浓度以及应变之间的强耦合是固态混合离子-电子导体（MIEC）的普遍存在的特征，所述固态混合离子-电子导体是从电阻元件和忆阻元件到离子电池和燃料电池的装置中的选择材料。在这里，我们详细分析了机电耦合机制，并推导出广义偏置浓度应变方程MIECs，包括浓度驱动的化学膨胀，变形势，和挠曲电效应的贡献。该分析扩展到均匀和扫描探针显微镜的几何形状的偏置诱导的应变。值得注意的是，贡献的电子-声子和挠曲电耦合的混合离子-电子导体所造成的电场扫描探针显微镜尖端的局部表面位移尚未被考虑以前。所开发的热力学方法允许在固态离子学中由电场（机电响应）引起的机械现象的理论描述朝着分析理论和在不同的几何形状和在不同的电、化学和机械边界条件下的MIEC的相场建模发展。
英文摘要：
Strong coupling among external voltage, electrochemical potentials, concentrations of electronic and ionic species, and strains is a ubiquitous feature of solid state mixed ionic-electronic conductors (MIECs), the materials of choice in devices ranging from electroresistive and memristive elements to ion batteries and fuel cells. Here, we analyze in detail the electromechanical coupling mechanisms and derive generalized bias-concentration-strain equations for MIECs including effects of concentration-driven chemical expansion, deformation potential, and flexoelectric effect contributions. This analysis is extended towards the bias-induced strains in the uniform and scanning probe microscopy-like geometries. Notably, the contribution of the electron-phonon and flexoelectric coupling to the local surface displacement of the mixed ionic-electronic conductor caused by the electric field scanning probe microscope tip has not been considered previously. The developed thermodynamic approach allows evolving theoretical description of mechanical phenomena induced by the electric fields (electro-mechanical response) in solid state ionics towards analytical theory and phase-field modeling of the MIECs in different geometries and under varying electrical, chemical, and mechanical boundary conditions.
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