International Journal of Metals

Research Article

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

Table 2

Lattice constant ( ), the equilibrium volume ( ), valence electron density (electrons/ ), Fermi energy (Ry.), density of states at Fermi energy ( ), Wigner-Seitz radius (a.u), and band energy (Ry).
 CrHMnHFeHCoH
( )3.773.673.633.64
3.71a3.62a3.59a3.60a
3.854b   
13.39512.35811.95812.057
0.52260.64740.75260.8294
(Ry)0.08810.08170.07430.0256
( ) 15.846918.839126.885863.6115
2.21052.15192.12842.1343
−1.1722−1.4232−1.65767−2.0608
 aRef. [8].
bRef. [10], expt.