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
This research focuses on the electric behavior of a mixed ferrielectric sulflower-like nanostructure.The structure includes a core with spin S_(i)^(Z)-1 atoms and a shell with spin σ_(j)^(Z)-5/2 atoms.The Blume–Cape...This research focuses on the electric behavior of a mixed ferrielectric sulflower-like nanostructure.The structure includes a core with spin S_(i)^(Z)-1 atoms and a shell with spin σ_(j)^(Z)-5/2 atoms.The Blume–Capel model and the Monte Carlo technique(MCt)with the Metropolis algorithm are employed.Diagrams are established for absolute zero,investigating stable spin configurations correlated with various physical parameters.The MCt method explores phase transition behavior and electric hysteresis cycles under different physical parameters.展开更多
文摘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.
基金supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (2020R1I1A3052258)funded by Researcher Supporting Project number (RSP2024R117), King Saud University, Riyadh, Saudi Arabia
文摘This research focuses on the electric behavior of a mixed ferrielectric sulflower-like nanostructure.The structure includes a core with spin S_(i)^(Z)-1 atoms and a shell with spin σ_(j)^(Z)-5/2 atoms.The Blume–Capel model and the Monte Carlo technique(MCt)with the Metropolis algorithm are employed.Diagrams are established for absolute zero,investigating stable spin configurations correlated with various physical parameters.The MCt method explores phase transition behavior and electric hysteresis cycles under different physical parameters.
