Al_ yGa_{1-y} N/GaN超晶格发光的微观起源：能带分布和活性位
Microscopic origin of light emission in Al_yGa_{1-y}N/GaN superlattice: Band profile and active site
摘要：
我们对AlGaN/GAN超晶格进行了第一性原理计算，阐明了发光的微观起源，揭示了量子阱中局域极化的影响.能带轮廓和电子、空穴的分布表明，在阱中存在一个主要的活性位，负责主要的带边发光。该位置出现在局部极化变为零的位置处。计算的光谱表明，电荷注入后，活性位带隙的展宽导致了发射波长的蓝移。
英文摘要：
We present first-principles calculations of AlGaN/GaN superlattice, clarifying the microscopic origin of the light emission and revealing the effect of local polarization within the quantum well. Profile of energy band and distributions of electrons and holes demonstrate the existence of a main active site in the well responsible for the main band-edge light emission. This site appears at the position where the local polarization becomes zero. With charge injection, the calculated optical spectra show that the broadening of the band gap at the active site leads to the blueshift of emission wavelength.
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