Shang Yingqi, Bi Jiayu, Liu Weiwei, Ai Chunpeng, Zhang Hongquan
College of Electronic Engineering, Heilongjiang University, Harbin 150001, China.
The 49th Research Institute, China Electronics Technology Group Corporation, Harbin 150001, China.
Materials (Basel). 2025 Apr 11;18(8):1766. doi: 10.3390/ma18081766.
Nonlinear correction was performed on the mechanical motion of ultra-thin cantilever beams, and strain effects were calculated on ultra-thin multi-layer heterogeneous material stacked cantilever beams. The atomic structure and piezoelectric properties of ZnO were studied using first-principles calculations. In this study, generalized gradient approximations of Perdew-Burke-Erzerhof (GGA-PBE) functionals and Plain Wave Basis Sets were used to calculate the electronic structure, density of states, energy bands, charge density, and piezoelectric coefficient of intrinsic ZnO. Research and calculations were conducted on Li-doped ZnO with different ratios. According to our calculations, as the Li doping ratio increases from 0 to 10%, the bandgap width of ZnO material increases from 0.74 to 1.21 eV. The results for the density of states and partial density of states indicate that the increase in band gap is due to the movement of Zn-3d states towards the high-energy end, and the piezoelectric coefficient of the material increases from 2.07 to 3.3 C/m. Meanwhile, based on the optimized Li-doped ZnO cantilever beam accelerometer, an ultra-thin cantilever beam accelerometer with a sensitivity of 7.04 mV/g was fabricated.
对超薄悬臂梁的机械运动进行了非线性校正，并计算了超薄多层异质材料堆叠悬臂梁的应变效应。采用第一性原理计算研究了ZnO的原子结构和压电性能。在本研究中，使用Perdew-Burke-Erzerhof（GGA-PBE）泛函的广义梯度近似和平坦波基组来计算本征ZnO的电子结构、态密度、能带、电荷密度和压电系数。对不同比例的锂掺杂ZnO进行了研究和计算。根据我们的计算，随着锂掺杂比例从0增加到10%，ZnO材料的带隙宽度从0.74增加到1.21 eV。态密度和部分态密度的结果表明，带隙的增加是由于Zn-3d态向高能端移动，材料的压电系数从2.07增加到3.3 C/m。同时，基于优化的锂掺杂ZnO悬臂梁加速度计，制作了灵敏度为7.04 mV/g的超薄悬臂梁加速度计。
