Electronic structure and equation of state of PdO<sub>2</sub> from ab initio
Langue
en
Article de revue
Ce document a été publié dans
Chemical Physics Letters. 2011, vol. 508, n° 4-6, p. 215-218
Elsevier
Résumé en anglais
The electronic band structure and chemical bonding properties of rutile type PdO<sub>2</sub> are calculated in the context of the difficulties encountered for its synthesis. They are provided based on ab initio determination ...Lire la suite >
The electronic band structure and chemical bonding properties of rutile type PdO<sub>2</sub> are calculated in the context of the difficulties encountered for its synthesis. They are provided based on ab initio determination of the lattice parameters and energy-volume equation of state leading to a metallic behavior within the ground state rutile structure.< Réduire
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