The effect of relaxation on the structural and electronic properties of a terbium superstoichiometric dihydride
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DOI: 10.1016/j.cjph.2017.06.017
Abstract: Abstract The electronic structure and equilibrium properties for the cubic rare earth superstoichiometric dihydride TbH 2.25 are calculated using the full-potential linearized augmented plane wave method (FP-LAPW) within the density functional theory (DFT) in the… read more here.
Keywords: density; relaxation structural; dihydride; effect relaxation ... See more keywords