2,557 research outputs found

### Effective Hamiltonian of Three-orbital Hubbard Model on Pyrochlore Lattice: Application to LiV_2O_4

We investigate heavy fermion behaviors in the vanadium spinel LiV_2O_4. We
start from a three-orbital Hubbard model on the pyrochlore lattice and derive
its low-energy effective Hamiltonian by an approach of real-space
renormalization group type. One important tetrahedron configuration in the
rochlore lattice has a three-fold orbital degeneracy and spin S=1, and
correspondingly, the effective Hamiltonian has spin and orbital exchange
interactions of Kugel-Khomskii type as well as correlated electron hoppings.
Analyzing the effective Hamiltonian, we find that ferromagnetic double exchange
processes compete with antiferromagnetic superexchange processes and various
spin and orbital exchange processes are competing to each other. These results
suggest the absence of phase transition in spin and orbital spaces down to very
low temperatures and their large fluctuations in the low-energy sector, which
are key issues for understanding the heavy fermion behavior in LiV_2O_4.Comment: 26 pages, 26 figure

### Orbitally-driven Peierls state in spinels

We consider the superstructures, which can be formed in spinels containing on
B-sites the transition-metal ions with partially filled t2g levels. We show
that, when such systems are close to itinerant state (e.g. have an
insulator-metal transition), there may appear in them an orbitally-driven
Peierls state. We explain by this mechanism the very unusual superstructures
observed in CuIr2S4 (octamers) and MgTi2O4 (chiral superstructures) and suggest
that similar phenomenon should be observed in NaTiO2 and possibly in some other
systems.Comment: 4 pages, 3 figure

### Exact spin-orbital separation in a solvable model in one dimension

A one-dimensional model of coupled spin-1/2 spins and pseudospin-1/2 orbitals
with nearest-neighbor interaction is rigorously shown to exhibit spin-orbital
separation by means of a non-local unitary transformation. On an open chain,
this transformation completely decouples the spins from the orbitals in such a
way that the spins become paramagnetic while the orbitals form the soluble XXZ
Heisenberg model. The nature of various correlations is discussed. The more
general cases, which allow spin-orbital separation by the same method, are
pointed out. A generalization for the orbital pseudospin greater than 1/2 is
also discussed. Some qualitative connections are drawn with the recently
observed spin-orbital separation in Sr2CuO3.Comment: 5 page

### Quantum Versus Jahn-Teller Orbital Physics in YVO$_3$ and LaVO$_3$

We argue that the large Jahn-Teller (JT) distortions in YVO$_3$ and LaVO$_3$
should suppress the quantum orbital fluctuation. The unusual magnetic
properties can be well explained based on LDA+$U$ calculations using
experimental structures, in terms of the JT orbital. The observed splitting of
the spin-wave dispersions for YVO$_3$ in C-type antiferromagnetic state is
attributed to the inequivalent VO$_2$ layers in the crystal structure, instead
of the ``orbital Peierls state''. Alternative stacking of $ab$-plane exchange
couplings produces the c-axis spin-wave splitting, thus the spin system is
highly three dimensional rather than quasi-one-dimensional. Similar splitting
is also predicted for LaVO$_3$, although it is weak.Comment: 4 pages, 2 tables, 2 figures, (accepted by PRL

### The spin-wave spectrum of the Jahn-Teller system LaTiO3

We present an analytical calculation of the spin-wave spectrum of the
Jahn-Teller system LaTiO3. The calculation includes all superexchange couplings
between nearest-neighbor Ti ions allowed by the space-group symmetries: The
isotropic Heisenberg couplings and the antisymmetric (Dzyaloshinskii-Moriya)
and symmetric anisotropies. The calculated spin-wave dispersion has four
branches, two nearly degenerate branches with small zone-center gaps and two
practically indistinguishable high-energy branches having large zone-center
gaps. The two lower-energy modes are found to be in satisfying agreement with
neutron-scattering experiments. In particular, the experimentally detected
approximate isotropy in the Brillouin zone and the small zone-center gap are
well reproduced by the calculations. The higher-energy branches have not been
detected yet by neutron scattering but their zone-center gaps are in satisfying
agreement with recent Raman data.Comment: 13 pages, 5 figure

### Variational Monte Carlo study of ferromagnetism in the two-orbital Hubbard model on a square lattice

To understand effects of orbital degeneracy on magnetism, in particular
effects of Hund's rule coupling, we study the two-orbital Hubbard model on a
square lattice by a variational Monte Carlo method. As a variational wave
function, we consider a Gutzwiller projected wave function for a staggered spin
and/or orbital ordered state. We find a ferromagnetic phase with staggered
orbital order around quarter-filling, i.e., electron number n=1 per site, and
an antiferromagnetic phase without orbital order around half-filling n=2. In
addition, we find that another ferromagnetic phase without orbital order
realizes in a wide filling region for large Hund's rule coupling. These two
ferromagnetic states are metallic except for quarter filling. We show that
orbital degeneracy and strong correlation effects stabilize the ferromagnetic
states.Comment: 4 pages, 2 figure

### Oxygen-stripes in La0.5Ca0.5MnO3 from ab initio calculations

We investigate the electronic, magnetic and orbital properties of
La0.5Ca0.5MnO3 perovskite by means of an ab initio electronic structure
calculation within the Hartree-Fock approximation. Using the experimental
crystal structure reported by Radaelli et al. [Phys. Rev B 55, 3015 (1997)], we
find a charge-ordering stripe-like ground state. The periodicity of the
stripes, and the insulating CE-type magnetic structure are in agreement with
neutron x-ray and electron diffraction experiments. However, the detailed
structure is more complex than that envisaged by simple models of charge and
orbital order on Mn d-levels alone, and is better described as a charge-density
wave of oxygen holes, coupled to the Mn spin/orbital order.Comment: 4 pages, 3 figures. Version accepted for publication in PR

### Dimensional tuning of electronic states under strong and frustrated interactions

We study a model of strongly interacting spinless fermions on an anisotropic
triangular lattice. At half-filling and the limit of strong repulsive
nearest-neighbor interactions, the fermions align in stripes and form an
insulating state. When a particle is doped, it either follows a one-dimensional
free motion along the stripes or fractionalizes perpendicular to the stripes.
The two propagations yield a dimensional tuning of the electronic state. We
study the stability of this phase and derive an effective model to describe the
low-energy excitations. Spectral functions are presented which can be used to
experimentally detect signatures of the charge excitations.Comment: 4pages 4figures included. to appear in Phys. Rev. Lett. vol. 10

### Mott insulating state in a quarter-filled two-orbital Hubbard chain with different bandwidths

We investigate the ground-state properties of the one-dimensional two-band
Hubbard model with different bandwidths. The density-matrix renormalization
group method is applied to calculate the averaged electron occupancies $n$ as a
function of the chemical potential $\mu$. Both at quarter and half fillings,
"charge plateaux" appear in the $n$-$\mu$ plot, where $d\mu/dn$ diverges and
the Mott insulating states are realized. To see how the orbital polarization in
the one-quarter charge plateau develops, we apply the second-order perturbation
theory from the strong-coupling limit at quarter filling. The resultant
Kugel-Khomskii spin-orbital model includes a $magnetic$ field coupled to
orbital pseudo-spins. This field originates from the discrepancy between the
two bandwidths and leads to a finite orbital pseudo-spin magnetization.Comment: 4 pages, 2 figures, Proceedings of LT2

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