HAL (France)
open access
Anisotropic electrical and thermal conductivity of TiH<sub>2</sub> across its crystalline phase transition: A first-principles study
Titanium dihydride (TiH2) undergoes a reversible phase transition from a face-centered tetragonal (fct) to a face-centered cubic (fcc) structure near 310 K, driven by temperature-dependent changes in its c/a lattice parameter ratio. Using first-principles density functional theory (DFT) a
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