ELECTRONIC-PROPERTIES OF TERNARY HYDRIDES A2PDH2 (A = LI, NA)

That Na2PdH2 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 A2PdH2 (A = Li, Na) to find that these hydrides are semimetals. The orbital nature of the partially filled bands of Na2PdH2 were analyzed on the basis of extended Huckel tight-binding band calculations. Analysis of the Fermi surfaces of A2PdH2 (A = Li, Na) predicts that these hydrides are primarily two-dimensional metals with good conductivity in the ab plane.