Tan Chih Shan
Institute of Electronics, National Yang Ming Chiao Tung University, Hsinchu 30010, Taiwan.
ACS Omega. 2023 Jun 7;8(24):22238-22244. doi: 10.1021/acsomega.3c03191. eCollection 2023 Jun 20.
Prior research has indicated that the surface electron conductivity of Ge (111) wafers surpasses that of Ge (100) and Ge (110) wafers. This disparity has been ascribed to the variations in bond length, geometry, and frontier orbital electron energy distribution across different surface planes. The ab initio molecular dynamics (AIMD) simulation is used for the thermal stability of the Ge (111) slabs with different thicknesses and has provided new knowledge of its potential applications. To delve deeper into the properties of Ge (111) surfaces, we executed calculations for one- and two-layer Ge (111) surface slabs. The electrical conductivities of these slabs at room temperature were determined to be 966081.89 and 760157.03 Ω m, respectively, with a unit cell conductivity of 1.96 Ω m. These findings align with actual experimental data. Notably, the electrical conductivity of the single-layer Ge (111) surface exceeded that of intrinsic Ge by 100,000 times, heralding intriguing potential for including Ge surfaces in future device applications.
先前的研究表明，Ge(111)晶片的表面电子电导率超过了Ge(100)和Ge(110)晶片。这种差异归因于不同表面平面上键长、几何形状和前沿轨道电子能量分布的变化。从头算分子动力学(AIMD)模拟用于研究不同厚度的Ge(111)平板的热稳定性，并为其潜在应用提供了新的知识。为了更深入地研究Ge(111)表面的性质，我们对单层和双层Ge(111)表面平板进行了计算。这些平板在室温下的电导率分别为966081.89和760157.03Ω·m，晶胞电导率为1.96Ω·m。这些发现与实际实验数据一致。值得注意的是，单层Ge(111)表面的电导率比本征Ge高出100000倍，这预示着Ge表面在未来器件应用中具有引人入胜的潜力。
