Theory of Metal-Insulator Transition in PrRu4P12 and PrFe4P12

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dc.creatorCurnoe, S. H.
dc.creatorHarima, H.
dc.creatorTakegahara, K.
dc.creatorUeda, K.
dc.date2004-05-06
dc.date.accessioned2026-07-07T02:58:02Z
dc.date.available2026-07-07T02:58:02Z
dc.descriptionAll symmetry allowed couplings between the 4f^2-electron ground state doublet of trivalent praseodymium in PrRu4P12 and PrFe4P12 and displacements of the phosphorus, iron or ruthenium ions are considered. Two types of displacements can change the crystal lattice from body-centred cubic to simple orthorhombic or to simple cubic. The first type lowers the point group symmetry from tetrahedral to orthorhombic, while the second type leaves it unchanged, with corresponding space group reductions Im3 --> Pmmm and Im3 --> Pm3 respectively. In former case, the lower point-group symmetry splits the degeneracy of the 4f^2 doublet into states with opposite quadrupole moment, which then leads to anti-quadrupolar ordering, as in PrFe4P12. Either kind of displacement may conspire with nesting of the Fermi surface to cause the metal-insulator or partial metal-insulator transition observed in PrFe4P12 and PrRu4P12. We investigate this scenario using band-structure calculations, and it is found that displacements of the phosphorus ions in PrRu4P12 (with space group reduction Im3 --> Pm3) open a gap everywhere on the Fermi surface.
dc.description6 pages
dc.identifierhttps://arxiv.org/abs/cond-mat/0405127
dc.identifierhttp://arxiv.org/abs/cond-mat/0405127
dc.identifierPhys. Rev. B 70, 245112 (2004)
dc.identifierdoi:10.1103/PhysRevB.70.245112
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/23909
dc.subjectStrongly Correlated Electrons
dc.titleTheory of Metal-Insulator Transition in PrRu4P12 and PrFe4P12
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