XIA Guanfang, LIU Tingyu, YAN Feinan, CHEN Jun. Study on electronic properties of Lu2SiO5 crystals[J]. Optical Instruments, 2015, 37(2): 138
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Electronic properties of Lu2SiO5 crystals with oxygen vacancy and oxygen interstitial were investigated using the density functional theory with the generalized gradient approximation with Perdew-Burke-Ernzerhof(GGA-PBE). The electronic density of states is described in detail. The electronic density of states with oxygen vacancy is analyzed. The results show that oxygen vacancy can induce extra states in the band gap. VO5 can bring a new absorption band which is fit well with the 400~500 nm absorption band.