Calculations of the total energy, electron-phonon interaction and Stoner parameter in the 5d transition metal hydrides
DA Papaconstantopoulos, JP Skroch… - Journal of the Less …, 1991 - Elsevier
We performed total energy calculations for all the monohydrides of the 5d row of the periodic
table using the augmented plane wave method. Using our predicted equilibrium lattice
parameters, we have done band structure calculations that explore possibilities for
superconductivity and magnetism in these hydrides.
table using the augmented plane wave method. Using our predicted equilibrium lattice
parameters, we have done band structure calculations that explore possibilities for
superconductivity and magnetism in these hydrides.