Abstract
This chapter covers the transition-metal hydrides from TiH to ZnH. Results are presented for the crystal structures NaCl (B1) and CaF2 (C1). Most of these systems form as dihydrides in the CaF2 structure. However, in a few of them such as VH a body-centered tetragonal phase or/and hydrogen vacancies have been observed. The lattice parameters of these hydrides follow the trend of the corresponding elements that is they decrease from TiH to FeH and then increase from FeH to ZnH as expected because of the expansion introduced by hydrogen.
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Papaconstantopoulos, D.A. (2023). 3D Transition-Metal Hydrides. In: Band Structure of Cubic Hydrides. Springer, Cham. https://doi.org/10.1007/978-3-031-06878-2_6
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DOI: https://doi.org/10.1007/978-3-031-06878-2_6
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