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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
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作者 A.G.El Hachimi M.L.Ould NE +2 位作者 a.el yousfi A.Benyoussef a.el Kenz 《Journal of Rare Earths》 SCIE EI CAS CSCD 2019年第4期416-421,共6页
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 ... 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. 展开更多
关键词 Zinc oxide RARE earth Density functional theory MODIFIED Becke-Johnson Magnetic properties SPINTRONICS
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