The electronic structure of VH, NbH and TaH in the β-phase

Calculations of the DOS (Density of States) for the three mono-hydrides of V nB and Ta in the orthorhombic β-phase were performed using the LMTO method. In all three systems the hydrogen induced states below the Fermi level split in two maxima as a consequence of the H-H interactions. This fact agrees with photo-emission experiments. We report also the calculated Bulk Modulus and equilibrium lattice parameters. This is the first time that a hand structure calculation is reported for the β-VH and β-TaH systems. (author). 15 refs, 3 figs