Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one

Temperature dependence of the vibrational entropy Svib (left), the electronic entropy Sel (middle), and the magnetic entropy Smag (right) in the hcp (dash-dotted lines), fcc (solid lines), and bcc (dashed lines) structure for the NM (black, non-magnetic), FM (red, ferromagnetic), and DLM (blue, disordered local moments) state. Gray horizontal lines indicate the configurational entropy Sconf. 224