Antisite-disorder engineering in La-based oxide heterostructures via oxygen vacancy control

Area of Science:

• Materials Science
• Condensed Matter Physics
• Solid-State Chemistry

Background:

• Disorder, including oxygen vacancies and antisite defects, critically affects electronic and transport properties of 2D electron liquids at oxide hetero-interfaces.
• Oxygen vacancies and antisite disorder are key intrinsic factors influencing these properties.

Purpose of the Study:

• To investigate the effect of oxygen vacancies on antisite disorder in La-based transition metal oxide heterostructures.
• To understand how oxygen vacancies can be utilized to control order, magnetic states, and electrical transport.

Main Methods:

• Utilized density functional theory (DFT) calculations.
• Analyzed a large number of interfaces between two La-based transition metal oxides.

Main Results:

• Oxygen vacancies were found to either suppress or favor antisite disorder depending on the specific heterostructure.
• Demonstrated the potential to stabilize ordered structures or promote disorder through oxygen vacancies.
• Showcased the ability of oxygen vacancies to generate new magnetic states by manipulating inter-site coupling.
• Confirmed that oxygen vacancies can effectively control electrical transport properties.

Conclusions:

• Oxygen vacancies play a crucial role in modulating antisite disorder in oxide heterostructures.
• Engineering oxygen vacancies offers a pathway to tune magnetic and electrical transport properties.
• Controlling oxygen partial pressure during growth is essential for managing these intrinsic defects and properties.