【摘要】 采用基于密度泛函理论的第一性原理平面波超软赝势法,计算了不同浓度Al(x=0,0.125,0.250,0.375,0.500)掺杂闪锌矿GaN体系的电子结构和光学吸收谱。结果表明:Al掺杂导致系统的晶格常数减小,禁带宽度增大,吸收谱蓝移,可以达到日盲区紫外线探测器的要求。更多还原

【Abstract】 The electron structures and absorption spectra of aluminum-doped cubic GaN for different aluminum contents (x=0,0.125,0.250,0.375,0.500) are calculated by the first-principles ultra-soft pseudo-potential plane wave approach based upon the density functional theory.It is showed that,for the doped systems,the lattice constants reduce,the band gaps broaden,and the absorption spectra shift to the blue region.Thus,the sun blind region ultraviolet detector’s requirements could be met.更多还原