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第一性原理计算Ga,O掺杂Ge材料的电子结构

First-principles study of the electronic structure of Ga,O codoped Ge

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【Author】 WANG Li1,2,LIU Hua-Song3,JI Yi-Qin3,HE Peng-Fei1(1.School of Aerospace Engineering and Applied Mechanics,Tongji University,Shanghai 200092,China; 2.School of Media and Communications Technology,Liaocheng University,Liaocheng,Shangdong 252059,China; 3.Tianjin Key Laboratory of Optical Thin Film,Tianjin 300192,China)

【机构】同济大学航空航天与力学学院；聊城大学传媒技术学院；天津市薄膜光学重点实验室；

【摘要】利用第一性原理模拟计算了Ga掺杂Ge及Ga、O共掺杂Ge材料的电子结构,对态密度、能带结构进行了分析.结果表明,Ga掺杂Ge材料会使掺杂体系表现为较强的金属性;Ga、O共掺杂会使掺杂体系在低能端出现新的态密度为零区域.通过掺杂能够改变Ge材料的电学和光学特性.更多还原

【Abstract】 The electronic structure of Ga,O codoped Ge was studied by using first-principles.The band structures and the density of states were also analyzed.The calculation results showed that the introduction of Ga can cause the primary level shift toward high level.A new forbidden band appeared at the low level area in the density states graphic.Ga,O codoping can change the electric and optical characteristic.更多还原

【关键词】电子结构；态密度； Ga掺杂Ge； Ga-O共掺杂Ge；
【Key words】 electronic structure； density of states； Ga-doping； Ga-O codoping Ge；

【基金】国家高技术发展计划项目(GFZX0205010706.3,2012AA030303)

【文献出处】原子与分子物理学报 ,Journal of Atomic and Molecular Physics , 编辑部邮箱 ,2013年03期

【分类号】O469
【下载频次】119

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