Abstract
The oxide heterostructure composed of LaAlO3 (LAO) thin film on top of SrTiO3 (STO) substrate is the best known example of a system where a metallic state is formed in the STO layers next to the interface [1]. In the frame of present work we analyze an impact of oxygen vacancies and hydrogen dopants located in the AlO2 surface layer and in the TiO2 interfacial plane of LAO/STO heterostructure onto the magnetic properties by performing spin-polarized calculations based on density functional theory (DFT). We found stable local magnetic moments formed within atomically thin magnetic layers at the interface. We confirmed that agnetism can be generated by oxygen vacancies located either at the surface or at the interface. In addition, we demonstrate magnetic moments formation by hydrogen dopants located at the interface. Finally, the case of two defects combination was investigated, when negligibly small magnetic moment induction was found to take place.
Highlights
The arising magnetic order in the LAO/STO system is a matter of intensive discussion [2, 3]
The facts that oxygen vacancies and hydrogen dopants have relative low defect formation energies, that they are omnipresent in experiments, and both are electron-donor defects motivate us to investigate their impact on magnetic properties
While investigating defects profile in the LAO/STO heterostructure we have found that for sufficiently large concentrations of oxygen vacancies the formation energy drops at the interface [8]
Summary
The arising magnetic order in the LAO/STO system is a matter of intensive discussion [2, 3]. It was found from ab initio calculations that the bare heterostructure is non-magnetic, and magnetic ordering was related to defects formation, in particular to oxygen vacancies at the interface and/or the surface [2]. The facts that oxygen vacancies and hydrogen dopants have relative low defect formation energies, that they are omnipresent in experiments, and both are electron-donor defects motivate us to investigate their impact on magnetic properties.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
