Abstract
Probing the electron hybridization between alkaline metal and oxygen ions is fundamentally important to understand variable emergent phenomena in alkaline titanates, however, experimental study of which is very limited. In this letter, in order to characterize the evolution of element-specific electronic structures in single crystal alkaline titanates ATiO3 (A = Ca, Sr, Ba), we carried out resonant soft X-ray absorption spectroscopy at Ti L2,3- and O K-edges and performed multiplet calculations. In sharp contrast to analogous Ti electronic structures in ATiO3, the electronic structure of oxygen changes drastically with different A-site metals (Ca, Sr, Ba), indicating the strong hybridization between alkaline metal and oxygen ions. Our work reveals an important role of A-site alkaline metals in determining the electronic structures of oxygens in ATiO3, and paves a way to design novel quantum states (e.g., coexisting ferroelectricity, ferromagnetism, and superconductivity) with oxide interface engineering.
Highlights
The Coulomb repulsion strength between the centered metal ion and the attaching ligands.31 The bottom t2g triplet consists of dxy, dxz, and dyz subbands while the upper eg doublet contains dx2-y2, and dz2 subbands
In order to have a comprehensive understanding of element-specific electronic structures of Ti4+ and O2- with different A-site metals, the resonant soft X-ray absorption spectra (XAS) of CTO, STO, and BTO at the corresponding Ti L2,3-edge and O K-edge were investigated
The XAS spectra at Ti L2,3-edge were simulated by atomic multiplet scattering calculations using the CTM4XAS code, which agree well with the experimental results
Summary
The Coulomb repulsion strength between the centered metal ion and the attaching ligands.31 The bottom t2g triplet consists of dxy, dxz, and dyz subbands while the upper eg doublet contains dx2-y2 , and dz2 subbands. In order to have a comprehensive understanding of element-specific electronic structures of Ti4+ and O2- with different A-site metals, the resonant soft X-ray absorption spectra (XAS) of CTO, STO, and BTO at the corresponding Ti L2,3-edge and O K-edge were investigated.
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