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Press dependent electronic structure and optical property of Ba2Mg(PO4)2:Eu2+
Journal of Alloys and Compounds ( IF 5.8 ) Pub Date : 2021-06-19 , DOI: 10.1016/j.jallcom.2021.160870
Fei Xie , Yixuan Cui , Min She , Xiangfu Wang , Chun-Sheng Liu

The electronic structure and optical property of Ba2Mg(PO4)2:Eu2+ under different pressures are calculated based on density functional theory. The energy band of Ba2Mg(PO4)2 generates impurity band and the transition probability increases through doping the Eu2+. The results show the lattice parameters decrease with the pressure increase, and the band gap increases with the pressure increase. The density of states Ba2Mg(PO4)2:Eu2+ is dependent on the pressure, and the absorption spectra appear to have increasing blue shift as pressure increases. The Ba2Mg(PO4)2:Eu2+ has potential application for pressure sensors.



中文翻译:

Ba 2 Mg(PO 4 ) 2 :Eu 2+ 的压力相关电子结构和光学性质

基于密度泛函理论计算了Ba 2 Mg(PO 4 ) 2 :Eu 2+在不同压力下的电子结构和光学性质。Ba 2 Mg(PO 4 ) 2的能带产生杂质带,通过掺杂Eu 2+提高跃迁概率。结果表明,晶格参数随着压力的增加而减小,带隙随着压力的增加而增加。Ba 2 Mg(PO 4 ) 2 :Eu 2+态密度取决于压力,并且随着压力的增加,吸收光谱似乎有增加的蓝移。Ba 2 Mg(PO 4 ) 2 :Eu 2+具有用于压力传感器的潜在应用。

更新日期:2021-06-23
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