Abstract
While the physiochemical effects of octahedral tilting and rotating distortions have been studied extensively, octahedral breathing distortion (OBD) at heterointerfaces has rarely been explored. Here, we investigated OBD in fully strained BaBiO3 (BBO) epitaxial films by making a new type of oxide heterointerface with non-breathing BaCeO3 epitaxial films. The integration of first-principles calculations with experimental observations of optical spectroscopy revealed that the oxygen displacement modes in BBO became disordered within six unit cells at the heterointerface and the surface. Controlling OBD in perovskite oxide thin films provides a means to exploit emerging material properties.
Highlights
Control of octahedral distortion in perovskite oxide heterostructures has attracted much attention as an emergent route to discover novel multifunctional materials.[1]
Perovskite oxides (ABO3; A = alkali metal, B = transition metal, O = oxygen) have a simple crystallographic structure with corner-sharing BO6 octahedra surrounded by A-site ions
The octahedra are composed of central B-site transition metal cations coordinated by six oxygen ligands.[2,3,4]. These materials have numerous functionalities, including superconductivity, magnetism, ferroelectricity, and multiferroics.[5,6,7,8]. Such diverse functionalities of these versatile materials arise from the number of occupied electrons in the B-site ions and structural variation of the BO6 octahedra, such as size, shape, and connectivity
Summary
Control of octahedral distortion in perovskite oxide heterostructures has attracted much attention as an emergent route to discover novel multifunctional materials.[1]. When we try to grow a BBO film on a substrate without OBD, there should exist a strong mismatch in atomic arrangements at the interface of the heterostructure.
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