Defect Optical and Scintillation Properties of Lu2Si2O7:Ce Single Crystal Grown by Floating Zone Method

He, Feng; Ren, Guina; Ding, Derui; Li, Huanying; Xu, Jun; Yang, Qiuhong; Jia-Yue, XU

doi:10.3724/sp.j.1077.2013.12599

Cited by 1 publication

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“…Explanations should be based on their band structures, as the afterglow properties are closely related to the band structure, especially the position of impurity level relative to the host material's band edges. In this paper, the band structures of RE 2 O 3 : Eu (RE = Lu, Y, Sc) acquired from computations are used to clarify their afterglow behaviors, and to provide guidance for optimizing the afterglow properties of similar mechanism [30,31]. For undoped RE 2 O 3 , the calculations were done without spin polarization because the closed valence shells of Sc 3+ , Y 3+ , and Lu 3+ ions have either empty or fully occupied f orbitals for which electrons are paired.…”

Section: Introductionmentioning

confidence: 99%

Band structures of RE₂O₃:Eu (RE = Lu, Y, Sc) from perspective of spin-polarized quasi-particle approximation

Chen

Xie

et al. 2021

Modelling Simul. Mater. Sci. Eng.

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Eu-doped rare earth sesquioxides RE2O3:Eu (RE = Lu, Y, Sc) exhibit subtle difference in scintillation processes, for which impurity levels play an important role but are difficult to assess computationally due to localized f-electrons and itinerant spd-electrons in the materials. Unpaired electrons of dopant Eu3+ ions also render complexity to these systems. In this study we calculated band structures of pure and Eu-doped RE2O3 using quasi-particle GW approximation with collinear spin polarization based on density functional theory. The band structures were similar across the three host material systems, varying with spin component and dopant’s lattice site. Only the majority-spin states are responsible for the scintillation process, whereas the minority-spin states are entangled with the hosts’ low-energy conduction bands. The materials’ afterglow behavior was explained in terms of the positions of 4f orbitals and electron traps, as well as thermodynamics of the doping systems.

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Section: Introductionmentioning

confidence: 99%

Band structures of RE₂O₃:Eu (RE = Lu, Y, Sc) from perspective of spin-polarized quasi-particle approximation

Chen

Xie

et al. 2021

Modelling Simul. Mater. Sci. Eng.

Self Cite

View full text Add to dashboard Cite

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Defect Optical and Scintillation Properties of Lu2Si2O7:Ce Single Crystal Grown by Floating Zone Method

Cited by 1 publication

References 8 publications

Band structures of RE₂O₃:Eu (RE = Lu, Y, Sc) from perspective of spin-polarized quasi-particle approximation

Band structures of RE₂O₃:Eu (RE = Lu, Y, Sc) from perspective of spin-polarized quasi-particle approximation

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Defect Optical and Scintillation Properties of Lu2Si2O7:Ce Single Crystal Grown by Floating Zone Method

Cited by 1 publication

References 8 publications

Band structures of RE2O3:Eu (RE = Lu, Y, Sc) from perspective of spin-polarized quasi-particle approximation

Band structures of RE2O3:Eu (RE = Lu, Y, Sc) from perspective of spin-polarized quasi-particle approximation

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Band structures of RE₂O₃:Eu (RE = Lu, Y, Sc) from perspective of spin-polarized quasi-particle approximation

Band structures of RE₂O₃:Eu (RE = Lu, Y, Sc) from perspective of spin-polarized quasi-particle approximation