Wang Jing-Qin, Liu Zhou, Chen Ling, Yu Shuang-Miao, Zhu Yan-Cai
State Key Laboratory of Reliability and Intelligence of Electrical Equipment, Hebei University of Technology, Tianjin 300130, China.
Laboratory of Electromagnetic Field and Electrical Apparatus Reliability of Hebei Province, Hebei University of Technology, Tianjin 300130, China.
Materials (Basel). 2019 Jul 19;12(14):2315. doi: 10.3390/ma12142315.
The crystal structures, mechanical properties, and electrical properties of Cu doped SnO, F doped SnO, and Cu F co-doped SnO were studied by using the first-principles method. Meanwhile, AgSnO, AgSnO-F, AgSnO-Cu, and AgSnO-Cu-F contacts were prepared by using the sol-gel method for a series of experiments to verify the theoretical analysis. According to the XRD patterns, the doping does not change the structure of SnO, but increases its lattice constant and volume. Compared with the single-doped system, the doping formation energy of Cu F co-doped system is the smallest and the structure is more stable. Among the three groups of doping systems, the Cu F co-doped system has the highest shear modulus, Young's modulus, hardness, and Debye temperature, and its mechanical properties and wear resistance are relatively best, and the melting point is also the highest. Cu F co-doping can further narrow the band gap of SnO, reduce the electron effective mass and donor ionization energy, increase the electron mobility, and further enhance the conductivity of SnO. The wetting angle of SnO-Cu-F sample with Ag liquid is 1.15°, which indicates that Cu and F co-doping can significantly improve the wettability of SnO and Ag liquid. AgSnO-Cu-F contact has a hardness of 82.03 HV, an electrical conductivity of 31.20 mS⋅m, and a contact resistance of 1.048 mΩ. Cu F co-doping can improve the shortcomings of AgSnO contact properties.
采用第一性原理方法研究了Cu掺杂SnO、F掺杂SnO以及Cu-F共掺杂SnO的晶体结构、力学性能和电学性能。同时，采用溶胶-凝胶法制备了AgSnO、AgSnO-F、AgSnO-Cu和AgSnO-Cu-F接触，进行了一系列实验以验证理论分析。根据XRD图谱，掺杂并未改变SnO的结构，但增大了其晶格常数和体积。与单掺杂体系相比，Cu-F共掺杂体系的掺杂形成能最小，结构更稳定。在三组掺杂体系中，Cu-F共掺杂体系具有最高的剪切模量、杨氏模量、硬度和德拜温度，其力学性能和耐磨性相对最佳，熔点也最高。Cu-F共掺杂可进一步缩小SnO的带隙，降低电子有效质量和施主电离能，提高电子迁移率，进一步增强SnO的导电性。SnO-Cu-F样品与Ag液的润湿角为1.15°，这表明Cu和F共掺杂可显著提高SnO与Ag液的润湿性。AgSnO-Cu-F接触的硬度为82.03 HV，电导率为31.20 mS⋅m，接触电阻为1.048 mΩ。Cu-F共掺杂可改善AgSnO接触性能的缺点。
