Experimental and Theoretical Investigations of the Electronic Structure and Luminescent Properties of Undoped and Rare-Earth-doped ScNbO 4
Journal of materials science Materials in electronics(2020)
摘要
The distorted octahedral crystal field environment in the monoclinic wolframite structure is generating excitement due to its apparently quite favorable for efficient luminescence. In this work, undoped, Eu 3+ -doped and Yb 3+ /Er 3+ -codoped ScNbO 4 with monoclinic wolframite structure were synthesized with the traditional high-temperature solid-state reaction method. An indirect bandgap of 3.903 eV was determined for ScNbO 4 host with the well-known first-principle calculation. Its electronic and optical properties were revealed with the first-principle calculation simultaneously. Besides, the self-activated luminescent properties of undoped ScNbO 4 were investigated in experimental. The luminescent properties Eu 3+ -doped and Yb 3+ /Er 3+ -codoped ScNbO 4 were also present and the luminescent mechanisms were discussed. All the obtained results can provide an insightful understanding of ScNbO 4 with monoclinic wolframite structure.
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