First-principles study of the polar MgO(111)/Al(111) Interface: Adhesion, stability, and electronic structure

Key Points

• Adhesion and stability of the MgO(111)/Al(111) interface were effectively demonstrated, indicating strong interaction.
• Key findings reveal significant electronic structure characteristics at the interface, influencing material compatibility.
• First-principles computational methods provided insights into the adhesion properties and electronic behavior of the two materials.
• These results highlight the potential for improving interfaces in electronic applications, noting the importance of stability.