Atomic-scale structure and electronic property of the La2FeCrO6/SrTiO3 interface

作者：Lv Shuhui; Saito Mitsuhiro; Wang Zhongchang^*; Chen Chunlin; Chakraverty Suvankar; Kawasaki Masashi; Ikuhara Yuichi

来源：Journal of Applied Physics, 2013, 114(11): 113705.

DOI：10.1063/1.4821795

Combining transmission electron microscopy with first-principles calculations, we investigate atomic-scale structure of a La2FeCrO6/SrTiO3 interface and related it to its electronic properties at the atomic scale with special focus on the strain effect. We find that the La2FeCrO6 film shows a clean and direct contact to the substrate and that an epitaxial, coherent and atomically sharp interface is formed between La2FeCrO6 and SrTiO3. By estimating the adhesion energies for 21 possible candidate interface geometries, we determine the most stable interface structure theoretically, in consistence with the experimental data. The strain is found to play an insignificant role in affecting interfacial atomic structures, yet impose a substantial electronic impact. The strain induces interfacial electronic states and is responsible for the covalent nature of the interfacial bonding. Moreover, the valence states of Fe and Cr are identified to be +3, and a ferrimagnetic coupling is revealed between Fe and Cr.

• 出版日期2013-9-21
• 单位RIKEN