A new lead free double perovskites K2Ti(Cl/Br)6; a promising materials for optoelectronic and transport properties; probed by DFT

Importance of spin‐orbit coupling on photovoltaic properties of Pb‐free vacancy ordered double perovskites halides X 2 TeY 6 ( X = Cs , Rb , and Y = I , Br , Dahbi1, Tahiri2, Bounagui3 et al. 2022Intl J of Energy Research60030View full textAdd to dashboardCite

“…Moreover, the high PCE of perovskite solar cells are composed of lead (Pb) which are rapidly enhanced from 3.8% in 2009 to 25.5 ± 0.8% in 2021 12 . On the other hand, the toxicity and the poor stability of Pb limit their commercialization 1,13‐15 . Accordingly, the Pb free perovskite solar cells with high PCE are needed.…”

Dielectric Behavior and Spontaneous Polarization as a Consequence of Berry Quantum Phase Effect: The case of La2NiMnO6 Double Perovskite—A New Approach to Polarization

“…A large number of materials especially double perovskites has been studied using various simulation packages based on first-principle calculations. [21][22][23][24][32][33][34][35] Firstprinciple studies declare La 2 NiMnO 6 as an indirect bandgap semiconductor and possessing a bandgap of about 1.4 eV. Full potential linearized augmented plane wave (FP-LAPW) method used in DFT showed ferromagnetic semiconducting behavior of LMNO.…”

“…Full potential linearized augmented plane wave (FP-LAPW) method used in DFT showed ferromagnetic semiconducting behavior of LMNO. [25][26][27][28][29][30][31][32][33][34][35][36] Various conduction mechanisms such as thermally activated conduction, [26][27][28][29][30][31][32][33][34][35][36][37] small polaron hopping, variable range hopping, [26] schnerkbergs polaronic conduction [28] explain the conduction mechanisms of the material. La 2 NiMnO 6 exists in two phases monoclinic and rhombohedral.…”

“…Syed also reported the existence of biphasic nature. [27][28][29][30][31][32][33][34][35][36][37][38] Biphasic nature has also been reported in case of LMNO nanoparticles. [28] The monoclinic phase usually exists at low temperatures while the rhombohedral phase occurs at higher temperatures.…”

“…of electronic devices and components like capacitors, FE random access memory (RAM), and are nowadays being used to explore a new type of device called as ferroelectric tunnel junction (FTJ) and show unique properties of modern interest such as giant electro-resistance effects. [28][29][30][31][32][33][34][35][36][37][38][39][40] One of the most studied FE materials is barium titanate (BaTiO 3 ), but the Rhombohedral phase of La 2 NiMnO 6 (LMNO) is also believed to exhibit the same property of FE behaviour.…”