Exploring multicomponent perovskites ReXO[formula omitted] (Re=Sm, Eu, Gd and X=Ti, Cr, Ni and Cu): Channeling properties through alloying

Abstract

Multi-component systems involving the high-entropy and the medium-entropy perovskites stimulate the incorporation of additional components to facilitate the simultaneous customization of a range of properties, thereby unlocking their potential for novel functionalities. A new class of multicomponent perovskite oxides with the participation of rare earth elements has been synthesized. The three compositions which were produced by mechanical alloying involved Sm(Ti0.18Cr0.23Ni0.29Cu0.30)O3, Eu(Ti0.18Cr0.23Ni0.29Cu0.30)O3 and Gd(Ti0.18Cr0.23Ni0.27Cu0.32)O3. The Goldschmidt’s tolerance factor predicts the stability of the multicomponent perovskite crystal structures. Furthermore, to provide a theoretical viewpoint on the above perovskites, a density-functional study of all the structures along with the single-metallic perovskites has been performed. The formation energy of the structures (three multi-component and 12 single-metallic perovskites) confirms the stability and also their formation. Furthermore, the energy gap detected in the spin-down channels of the multicomponent materials suggests a promising potential for these systems as a spin filter in spintronic applications. The magnetic characteristic could be helpful for tuning the physical characteristics of the perovskites and could modify drastically their transport properties.