掺锑二氧化锡半导体材料导电性的理论解析

Theoretical Analysis about the Electrical Conductivity of ATO

文章运用Untitled-MS Modeling中的CASTEP计算方法计算了掺锑二氧化锡(ATO)的电子云分布、键长分布、总能量、能带结构、晶体态密度等参数,并和二氧化锡(SnO2)进行对比,从而得出结论掺杂锑后的二氧化锡具有更好的导电性能。

In the paper, the electronic cloud distribution, bond length distribution, total energy, energy band structure, crystal state density of the antimony doped tin oxide （ATO） and the stannic oxide （SnO2） were calculated by using the CASTEP/Untitled - MS Modeling. Through the comparison of calculated results, draws the conclusion that ATO has better electric conductivity.