SnP_(2)S_(6)半导体层数依赖的压电效应  

Layer-dependent piezoelectric effect in SnP_(2)S_(6)semiconductor

作　　者：乔玲 郭宇 周思 QIAO Ling;GUO Yu;ZHOU Si(Key Laboratory of Materials Modification by Laser,Ion and Electron Beams,Ministry of Education,College of Physics,Dalian University of Technology,Dalian 116024,China)

机构地区：[1]大连理工大学物理学院三束材料改性教育部重点实验室,大连116024

出　　处：《四川大学学报（自然科学版）》2023年第5期149-156,共8页Journal of Sichuan University(Natural Science Edition)

基　　金：国家自然科学基金(12004065,12222403,11974068);中央高校基本科研业务费(DUT22ZD103,DUT22RC(3)009,DUT20LAB110);辽宁省博士启动基金(2022-BS-081)。

摘　　要：二维压电材料在能源、电子和光电子学方面的应用引起了越来越多的关注.从实验合成的压电晶体SnP_(2)S_(6)出发,我们系统研究了单层、双层、三层和块体SnP_(2)S_(6)的压电效应.第一性原理计算表明:层状SnP_(2)S_(6)具有良好的热力学和动力稳定性,其带隙和载流子有效质量与层数无关,而压电性质具有明显的层数依赖性;单层SnP_(2)S_(6)的压电系数(d11)高达14.18 pm/V,远大于MoS2、h-BN和InSe的压电系数,双层SnP_(2)S_(6)的面外压电系数(d33)大于12 pm/V.优异的压电性能使SnP_(2)S_(6)在二维压电传感器和纳米发电机等器件中的应用成为可能.Piezoelectric two-dimensional(2D)materials draw growing interest for applications in energy harvesting,electronics and optoelectronics.Starting from the experimental synthesized piezoelectric SnP_(2)S_(6)crystal,we investigate the piezoelectric properties of monolayer,bilayer,trilayer and bulkSnP_(2)S_(6)by first-principles calculations.Layered SnP_(2)S_(6)is energetically,thermodynamically and dynamically stable.The bandgap and carrier effective mass of SnP_(2)S_(6)are independent on the number of layers,while the piezoelectric properties are layered dependent.Monolayer SnP_(2)S_(6)possesses piezoelectric coefficients(d11)up to 14.18 pm/V,much higher than the values of MoS2,h-BN and InSe monolayers.Bilayer SnP_(2)S_(6)has out-of-plane piezoelectric coefficients(d33)more than 12 pm/V.The prominent piezoelectric effect enables this novel 2D material for the applications of piezoelectric sensors and nanogenerators.

关 键 词：二维材料 SnP2S6半导体 压电性质 电子结构 层数 

分 类 号：O469[理学—凝聚态物理]