First-principles calculations of magnetic properties of LuFe6Al6 and UFe6Al6

Abstract

The electronic structure and magnetic properties of the intermetallic compounds LuFe6Al6 and UFe6Al6 have been calculated using density functional theory. For scalar relativistic calculations, the FPLO code with coherent potential approximation was used.

Keywords

• First-principles calculations
• magnetic properties
• LuFe6Al6 and UFe6Al6