第一性原理计算Ga,O掺杂Ge材料的电子结构

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禁带区域。通过掺杂能够改变Ge材料的电学和光学特性。

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

The electronic structure of Ga,O codoped Ge was studied by using first-principles. The band structures and the densities 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.