Lattice dynamic stability and electronic structures of ternary hydrides La1−xYxH3via first-principles cluster expansion
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DOI: 10.1039/d2ra03194a
Abstract: Lanthanum hydride compounds LaH3 become stabilized by yttrium substitution under the influence of moderate pressure. Novel materials with a wide range of changes in the structural properties as a function of hydrogen are investigated by… read more here.
Keywords: ternary hydrides; cluster expansion; first principles; lattice dynamic ... See more keywords