摘要
基于第一性原理的方法计算了B掺杂Ca2Si的电子结构,计算结果表明,B掺杂使晶胞体积减小,带隙变窄,导电类型为P型。
The electronic structure of B-doped Ca2Si is calculated based on first principles.The results show that The cell volume is reduced by B doping,the band gap is narrow,and the conductive type is P type.
出处
《科技创新与应用》
2020年第35期65-66,69,共3页
Technology Innovation and Application