Theory of charge and spin ordering in the nickelates - Physics ...

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Valence skipping Mazin et al, 2007: theoretically suggest mixed valence PRL 98, state 176406 to (2007) enhance exchange FIG. 1 (color online). Schematic electronic level diagram of Ni ions in RNiO 3 in two cases: (a) two JT distorted Ni 3 ions (energy gain E JT per site), and (b) charge disproportionation. and in the fully delocalized limit, the additional Coulomb energy due to CO is reduced to the Hartree energy, a very strong reduction. Furthermore, delocalization often leads PHYSICAL REVIEW LETTERS even the magnetic inst paramagnetic metal do disproportionation. Ex manifests itself in oxyg netic moments on the tw contrary to popular be Mott-Hubbard insulato tional band picture give it is capable of expla occurs in the crossover band structure calculat zation of the nonmag The insulator-metal structure in RNiO 3 are 0:7 B for Ni 2 in YNi 1:4 B and 0:6 B for H A close inspection erant states along the
Valence skipping Mazin et al, 2007: theoretically suggest mixed valence PRL 98, state 176406 to (2007) enhance exchange FIG. 1 (color online). Schematic electronic level diagram of Ni But: Why the complex magnetic ordering ions in RNiO 3 in two cases: (a) two JT distorted Ni pattern? 3 ions (energy gain E JT per site), and (b) charge disproportionation. c.f. Mizokawa, Khomskii, Sawatzky, 2000 and in the fully delocalized limit, the additional Coulomb energy due to CO is reduced to the Hartree energy, a very strong reduction. Furthermore, delocalization often leads PHYSICAL REVIEW LETTERS even the magnetic inst paramagnetic metal do disproportionation. Ex manifests itself in oxyg netic moments on the tw contrary to popular be Mott-Hubbard insulato The insulator-metal structure in RNiO 3 are 0:7 B for Ni 2 in YNi 1:4 B and 0:6 B for H A close inspection tional band picture give it is capable of expla occurs in the crossover erant states along the band structure calculat zation of the nonmag
Page 1 and 2: Theory of charge and spin ordering
Page 3 and 4: Outline Introduction to Mott transi
Page 5 and 6: ates remain temperature ds, the key
Page 7 and 8: Bulk transitions Transitions are al
Page 9 and 10: Magnetic structure Neutron scatteri
Page 11: Charge and spin order CO CO+AF Torr
Page 17 and 18: Hubbard Model A minimal model to co
Page 19 and 20: Phase Diagram Which is more appropr
Page 21 and 22: Tight-binding model Keep just σ-bo
Page 23 and 24: Fermi surfaces Variation with t’/
Page 25 and 26: Nesting Large fermi surface contain
Page 27 and 28: Hartree-Fock Two SDW phases appear
Page 29 and 30: Landau Theory SDW order parameter i
Page 31 and 32: Cubic symmetry Landau free energy F
Page 33 and 34: Cubic symmetry Landau free energy F
Page 35 and 36: Cubic lattice “site centered”
Page 37 and 38: 1918 J B Good Orthorhombic Distorti
Page 39 and 40: SDW states Look along axis θ=0 θ
Page 41 and 42: Hartree-Fock With orthorhombicity,
Page 43 and 44: Back to the Mott Transition What ab
Page 45 and 46: Strong Coupling Approach Consider p
Page 47 and 48: Ordering of pairs Half of sites sho
Page 49 and 50: Magnetism The spin of each Ni 2+ el
Page 51 and 52: Put it together Strong coupling pic
Page 55 and 56: Electronic structure Another way to
Page 57 and 58: Hartree-Fock graphene-like band str
Page 59 and 60: Anisotropy SDW wavevectors cubic un
Page 61 and 62: Nesting Confinement affects Fermi s
Page 63:
Summary Theory of the nickelates mu
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Theory of charge and spin ordering in the nickelates - Physics ...

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