Enhancing optical absorption in visible light of ZnO co-doped with europium and promethium by first-principles study through modified Becke and Johnson potential scheme
来源期刊：JOURNAL OF RARE EARTHS2019年第4期
论文作者：A.G.El Hachimi M.L.Ould NE A.El Yousfi A.Benyoussef A.El Kenz
文章页码：416 - 421
摘 要：By using first-principles calculations we studied the electronic, optical and magnetic properties of ZnO co-doped with Eu and Pm. In this calculation, we used Wien2 k code based on full potential linearized augmented plane waves（FP-LAPW） method with the modified Becke-Johnson（mBJ） approximation. This correction gives good band gap compared to experimental band gap. The introduction of Eu and Pm codoping leads to an increase in the band gap. Electrons can transit easily from the valence band to the conduction band, which results in an enhancement of visible light absorption in a wider absorption range. Absorption spectra reach a high value in visible and infrared light regions. With the significance of the obtained results, the studied compounds may potentially find spintronic and optoelectronic applications.
A.G.El Hachimi1，M.L.Ould NE1，A.El Yousfi1，A.Benyoussef1,2，A.El Kenz1
1. Laboratory of Condensed Matter and Interdisciplinary Sciences (LaMCScI), Associé Au CNRST (URAC 12), Département de Physique, B.P.1014, Faculté des Sciences,Université Mohammed V2. Hassan Ⅱ Academy of Science and Technology
摘 要：By using first-principles calculations we studied the electronic, optical and magnetic properties of ZnO co-doped with Eu and Pm. In this calculation, we used Wien2 k code based on full potential linearized augmented plane waves（FP-LAPW） method with the modified Becke-Johnson（mBJ） approximation. This correction gives good band gap compared to experimental band gap. The introduction of Eu and Pm codoping leads to an increase in the band gap. Electrons can transit easily from the valence band to the conduction band, which results in an enhancement of visible light absorption in a wider absorption range. Absorption spectra reach a high value in visible and infrared light regions. With the significance of the obtained results, the studied compounds may potentially find spintronic and optoelectronic applications.
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