Structural, mechanical, electronic and magnetic properties of a new series of quaternary Heusler alloys CoFeMnZ (Z=Si, As, Sb): A first-principle study

• Density functional calculations for CoFeMnZ (Z=Si, As, Sb) compounds are performed.
• Half-metallic ferromagnetism in CoFeMnZ (Z=Si, As, Sb) compounds is established.
• The magnetic and mechanical properties for CoFeMnZ (Z=As, Sb) are studied for the first time.
• The studied compounds possess high Curie temperatures with high spin polarizations.

The structural, mechanical, electronic and magnetic properties of the series of Heusler alloys CoFeMnZ (Z=Si, As, and Sb) have been investigated theoretically. The objective is to seek for stable half-metallic ferromagnets materials with Curie temperatures higher than room temperature. The series of CoFeMnZ (Z=Si, As and Sb) is found to exhibit half-metallic ferromagnetism with high magnetic moment and the localized moment in these magnetic compounds resides at the Mn atom. It has been observed that all our compounds have high Curie temperatures with high spin polarizations.