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تسجيل مستخدم جديدDistinct Nature of Orbital Selective Mott Phases Dominated by the Low-energy Local Spin Fluctuations
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Quantum orbital selective Mott (OSM) transitions are investigated within dynamical mean-field theory based on a two-orbital Hubbard model with different bandwidth at half filling. We find two distinct OSM phases both showing coexistence of itinerant electrons and localized spins, dependent on whether the Hunds coupling is full or of Ising type. The critical values and the nature of the OSM transitions are efficiently determined by entanglement entropy. We reveal that vanishing of the Kondo energy scale evidenced by absence of local spin fluctuations at low frequency in local dynamical spin susceptibility is responsible for the appearance of non-Fermi-liquid OSM phase in Ising Hunds coupling case. We argue that this scenario can also be applied to account for emergent quantum non-Fermi liquid in one-band Hubbard model when short-range antiferromagnetic order is considered.
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Iron-based superconductors display a variety of magnetic phases originating in the competition between electronic, orbital, and spin degrees of freedom. Previous theoretical investigations of the multi-orbital Hubbard model in one dimension revealed
the existence of an orbital-selective Mott phase (OSMP) with block spin order. Recent inelastic neutron scattering (INS) experiments on the BaFe$_2$Se$_3$ ladder compound confirmed the relevance of the block-OSMP. Moreover, the powder INS spectrum reveled an unexpected structure, containing both low-energy acoustic and high-energy optical modes. Here we present the theoretical prediction for the dynamical spin structure factor within a block-OSMP regime using the density-matrix renormalization group method. In agreement with experiments we find two dominant features: low-energy dispersive and high-energy dispersionless modes. We argue that the former represents the spin-wave-like dynamics of the block ferromagnetic islands, while the latter is attributed to a novel type of local on-site spin excitations controlled by the Hund coupling.
We present a comprehensive study of the spin excitations - as measured by the dynamical spin structure factor $S(q,omega)$ - of the so-called block-magnetic state of low-dimensional orbital-selective Mott insulators. We realize this state via both a
multi-orbital Hubbard model and a generalized Kondo-Heisenberg Hamiltonian. Due to various competing energy scales present in the models, the system develops periodic ferromagnetic islands of various shapes and sizes, which are antiferromagnetically coupled. The 2$times$2 particular case was already found experimentally in the ladder material BaFe$_2$Se$_3$ that becomes superconducting under pressure. Here we discuss the electronic density as well as Hubbard and Hund coupling dependence of $S(q,omega)$ using density matrix renormalization group method. Several interesting features were identified: (1) An acoustic (dispersive spin-wave) mode develops. (2) The spin-wave bandwidth establishes a new energy scale that is strongly dependent on the size of the magnetic island and becomes abnormally small for large clusters. (3) Optical (dispersionless spin excitation) modes are present for all block states studied here. In addition, a variety of phenomenological spin Hamiltonians have been investigated but none matches entirely our results that were obtained primarily at intermediate Hubbard $U$ strengths. Our comprehensive analysis provides theoretical guidance and motivation to crystal growers to search for appropriate candidate materials to realize the block states, and to neutron scattering experimentalists to confirm the exotic dynamical magnetic properties unveiled here, with a rich mixture of acoustic and optical features.
We study non-local correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter with robust Hunds coupling,
which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U, as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of non-local correlations while the localized electrons have largely momentum independent self-energies. These non-local correlations also produce relative shifts of the hole-like and electron-like bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally-ordered insulating phase.
We use the slave-spin mean-field approach to study particle-hole symmetric one- and two-band Hubbard models in presence of Hunds coupling interaction. By analytical analysis of Hamiltonian, we show that the locking of the two orbitals vs.,orbital-sel
ective Mott transition can be formulated within a Landau-Ginzburg framework. By applying the slave-spin mean-field to impurity problem, we are able to make a correspondence between impurity and lattice. We also consider the stability of the orbital selective Mott phase to the hybridization between the orbitals and study the limitations of the slave-spin method for treating inter-orbital tunnellings in the case of multi-orbital Bethe lattices with particle-hole symmetry.
We report a high-field electron spin resonance study in the sub-THz frequency domain of a single crystal of Sr$_2$IrO$_4$ that has been recently proposed as a prototypical spin-orbital Mott insulator. In the antiferromagnetically (AFM) ordered state
with noncollinear spin structure that occurs in this material at $T_{rm N} approx 240$ K we observe both the low frequency mode due to the precession of weak ferromagnetic moments arising from a spin canting, and the high frequency modes due to the precession of the AFM sublattices. Surprisingly, the energy gap for the AFM excitations appears to be very small, amounting to 0.83 meV only. This suggests a rather isotropic Heisenberg dynamics of interacting Ir$^{4+}$ effective spins despite the spin-orbital entanglement in the ground state.
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