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- W2022340229 abstract "Abstract The environmental dependence of screened tight-binding (TB) parameters in La 2 Ni 10 H 14 has been examined within the two-centre orthogonal TB scheme. The H–Ni σ bond integral is found to be transferable between the different H–Ni pairs, whereas the Ni–Ni bond integrals are greatly affected by the presence of the interstitial hydrogen so that they are not transferable. The bond energy of the interstitial hydrogen is reasonably well described within the second moment approximation, due to the fact that the majority of the constituent atoms of the host alloy are nickel atoms with almost filled d states. This result supports the use of models such as the embedded-atom method and the Finnis–Sinclair potentials in which the directionality of the bonding is not explicitly treated." @default.
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- W2022340229 date "2000-06-01" @default.
- W2022340229 modified "2023-10-18" @default.
- W2022340229 title "Environmental dependence of screened tight-binding parameters in La2Ni10H14" @default.
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- W2022340229 doi "https://doi.org/10.1016/s0925-8388(00)00731-3" @default.
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