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Electronic properties of LaNiIn doped with hydrogen

Wasylkowicz Ł., Jezierski A., Szytuła A., Penc B.

Materials Science Poland

2007

Vol. 25, No. 4

1229--1234

Electronic properties of RNiInH (R = La,Ce,Nd) intermetallic hydrides were recently studied both experimentally and theoretically. In the present work, we study the influence of hydrogen on the electronic structure of LaNiIn. The electronic structure is calculated by Augmented Spin Wave (ASW) and Tight Binding Linear Muffin Tin Orbital methods within the spin density approximation. The doped hydrogen atoms modify the band structure near the Fermi level. The density of states at the Fermi level decreases with increasing hydrogen concentration but the compounds have metallic character.