Electronic properties of palladium ternary hydrides A2PdH2 (A = lithium, sodium)

That Na 2 PdH 2 is a metal was shown by measuring its electrical resistivity as a function of temperature down to 4.2 K. First principles pseudofunction self-consistent-field (PSF-SCF) band electronic structure calculations were performed for the ternary hydrides A 2 PdH 2 (A=Li, Na) to find that these hydrides are semimetals. The orbital nature of the partially filled bands of Na 2 PdH 2 were analyzed on the basis of extended Huckel tight-binding band calculations