论文标题
替代掺杂$β$ -GA $ _2 $ o $ $ _3 $的压电属性
Piezoelectric properties of substitutionally doped $β$-Ga$_2$O$_3$
论文作者
论文摘要
现代半导体材料越来越多地用于多学科系统，这些系统证明了机械应变和电子电位之间的跨交互，这在高灵敏度，自动的传感器设备中引起了无处不在的应用。这种半导体材料表现为压电特性的基本先决条件之一是晶体结构的非中心对称性。 $β$ -GA $ _2 $ o $ _3 $由于其超宽的带盖而成为新兴的复合半导体材料。但是，原始的$β$ -GA $ _2 $ o $ _3 $具有反转中心，没有压电效果。这项工作发现，使用第一原理方法，替代掺杂的$β$ -GA $ _2 $ _2 $ _3 $拥有压电属性，而先前关于其替代兴奋剂的大多数研究都集中在增加半导体杂音的电导率和形成的目的上。更有趣的是，从这项工作中揭示了地层能量与压电系数有明确的关系。
Modern semiconductor materials are increasingly used in multidisciplinary systems demonstrating cross-interactions between mechanical strains and electronic potentials, which gives rise to ubiquitous applications in high sensitivity, self-powered sensor devices. One of fundamental prerequisites for such semiconductor materials to exhibit piezoelectric properties is the noncentrosymmetry of the crystal structures. $β$-Ga$_2$O$_3$ has been an emerging compound semiconductor material due to its ultra-wide bandgap. However the pristine $β$-Ga$_2$O$_3$ has an inversion center, displaying no piezoelectric effect. This work discovered that substitutionally doped $β$-Ga$_2$O$_3$ possesses piezoelectric property by using first principles method, while majority of previous research on its substitutional doping has been focusing on the purposes of increasing electrical conductivity and formation of the semiconductor heterojunctions. More interestingly, it is unveiled from this work that the formation energy has a clear relation with the piezoelectric coefficient.
