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B掺杂Ca2Si电子结构的影响研究

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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
关键词 Ca2Si B掺杂 第一性原理 Ca2Si B-doped First principles
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