Ni-Ge共掺杂下对AgSnO2触头材料性能的第一性原理分析

AgSnO₂触头材料是一种环保型低压触头材料，由于具备良好的耐电弧以及抗熔化焊能力，广泛适用于接触器，继电器以及低电压断路器中.采用金属元素Ni与Ge共掺杂的方式对SnO₂的导电性能进行改良.运用CASTEP软件对元素掺杂前后的SnO₂各项性能进行了仿真试验.结果表明：金属元素Ni与Ge单掺杂和共掺杂与本征SnO₂相比，其禁带宽度均会有不同程度的减小，其中Ni-Ge两种元素共掺杂时的禁带宽度值最小，这就表示电子可以更加容易的进行跃迁，其导电性也最好；由弹性常数分析可知，金属元素Ni-Ge共掺杂时材料的弹性最弱，韧性最强.

First-principles analysis of material properties of AgSnO2 contacts under Ni-Ge co-doping

AgSnO2 contact material is an environment-friendly low-voltage contact material, which is widely used in contactors, relays and low-voltage circuit breakers due to its good arc resistance and melting resistance. The conductive properties of SnO2 were improved by metal element co-doping. CASTEP software was used to simulate the performance of elements before and after doping. The results show that compared with the intrinsic SNO2, both single doping and co-doping of metal elements reduce their band gap widths to varying degrees. Among them, ni-Ge co-doping has the lowest band gap width value, which indicates that electrons can transition more easily and their conductivity is the best. According to the analysis of elastic constants, the material has the lowest elasticity and the strongest toughness when metal elements are co-doped.