Fig. 4: Electron density of states and -COHP.
From: Giant uniaxial negative thermal expansion in FeZr2 alloy over a wide temperature range
a, b The DOS/IDOS (a) of Mdz2 (M = Fe, Ni) and -pCOHP/-IpCOHP (b) for the most significant change in isostructure of MZr2 (M = Fe, Ni). c, d Charge distributions of M2Zr4 octahedra in the M–Zr–M–Zr planes with the same isosurfaces at 0.0375 e/r03.
