Research Article

First Principles Study of Electronic Structure and Magnetic Properties of TMH (TM = Cr, Mn, Fe, Co)

Table 1

Weight % of hydrogen in Cr, Mn, Fe, and Co.

Formation energy/unit volume (Ry.)Density of H/unit cellWeight % of hydrogen

CrH−0.11488.74501.90
MnH−0.10339.47991.80
FeH−0.09539.79681.77
CoH−0.09999.71631.68