Article Dans Une Revue Physical Review Letters Année : 2001

Ab initio Fermi surface calculation for charge-density wave instability in transition metal oxide bronzes

E. Sandre
  • Fonction : Auteur

Résumé

Ab initio calculation was carried out of the bronze with the smallest unit cell: the m = 4 member of the MPTBp's (P4W8O32). The calculation was performed using the density functional theory (DFT). The results confirm the hidden nesting mechanism proposed for the charge density wave transitions in this bronze material.

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hal-04897723 , version 1 (20-01-2025)

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E. Sandre, P. Foury-Leylekian, S. Ravy, J.-P. Pouget. Ab initio Fermi surface calculation for charge-density wave instability in transition metal oxide bronzes. Physical Review Letters, 2001, 86 (22), pp.5100-5103. ⟨10.1103/PhysRevLett.86.5100⟩. ⟨hal-04897723⟩
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