Related papers: Block Mott insulating state induced by next-neares…
Quasi-one-dimensional iron-based ladders and chains, with the 3$d$ iron electronic density $n = 6$, are attracting considerable attention. Recently, a new iron chain system Ba$_2$FeS$_3$, also with $n = 6$, was prepared under high-pressure…
The recent detailed study of quasi-one-dimensional iron-based ladders, with the $3d$ iron electronic density $n = 6$, has unveiled surprises, such as orbital-selective phases. However, similar studies for $n=6$ iron chains are still rare.…
Spin-$1/2$ chains with alternating antiferromagnetic and ferromagnetic couplings have attracted considerable interest due to the topological character of their spin excitations. Here, using density functional theory and density matrix…
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…
By considering two {\it ab initio}-based complementary approaches, we analyze the electronic structure and extract effective spin models of BaCo$_2$(AsO$_4$)$_2$, a honeycomb material which has been proposed as a candidate for Kitaev…
Strong electron-electron interaction can induce Mott insulating state, which is believed to host unusual correlated phenomena such as quantum spin liquid when quantum fluctuation dominates and unconventional superconductivity through…
The recently discovered cuprate superconductor Ba$_2$CuO$_{3+\delta}$ exhibits a high $T_c\simeq73$K at $\delta\simeq0.2$. The polycrystal grown under high pressure has a structure similar to La$_2$CuO$_4$, but with dramatically different…
We investigate an experimental toy-model system of a pseudospin-half square-lattice Hubbard Hamiltonian in [(SrIrO3)1/(CaTiO3)1] to include both nontrivial complex hopping and moderate electronic correlation. While the former induces…
Recent theoretical and experimental advances have identified cobaltates with a high-spin $d^7$ electronic configuration as promising hosts for spin-orbit entangled $J_{eff} = 1/2$ magnetism that can support bond-dependent exchange…
The $t_{2g}$ orbitals of an edge-shared transition-metal oxide with a honeycomb lattice structure form dispersionless electronic bands when only hopping mediated by the edge-sharing oxygens is accessible. This is due to the formation of…
We report an investigation on structure and magnetic properties of the $S=3/2$ zigzag spin chain compound BaCoTe$_2$O$_7$. Neutron diffraction measurements reveal BaCoTe$_2$O$_7$ crystallizes in the noncentrosymmetric space group $Ama2$…
We suggest that Cobalt-Oxychalcogenide layers constructed by vertex sharing CoA$_2$O$_2$ (A=S,Se,Te) tetrahedra, such as BaCoAO, are strongly correlated multi-orbital electron systems that can provide important clues on the cause of…
Inspired by recent discovery of correlated insulating states in twisted bilayer graphene (TBG), we study a two-orbital Hubbard model on the honeycomb lattice with two electrons per unit cell. Based on the real-space density matrix…
Electronic properties of molecular conductors exhibiting antiferromagnetic (AFM) spin order and charge order (CO) owing to electron correlation are studied using first-principles density functional theory calculations. We investigate two…
The Mott insulator provides an excellent foundation for exploring a wide range of strongly correlated physical phenomena, such as high-temperature superconductivity, quantum spin liquid, and colossal magnetoresistance. A Mott insulator with…
Recent studies exposed many remarkable properties of layered cobaltates NaxCoO2. Surprisingly, many-body effects have been found to increase at sodium-rich compositions of NaxCoO2 where one expects a simple, nearly free motion of the dilute…
Recently, it was argued that a ferromagnetic (FM) insulating phase can be induced by a novel {\it interorbital} hopping mechanism. Here, we study the stability range of this novel FM phase under modifications in the crystal fields and…
Copper oxide high temperature superconductors universally exhibit multiple forms of electronically ordered phases that break the native translational symmetry of the CuO2 planes. The interplay between these orders and the superconducting…
We study a system of hard-core bosons at half-filling in a one-dimensional optical superlattice. The bosons are allowed to hop to nearest and next-nearest neighbor sites producing a zig-zag geometry and we obtain the ground state phase…
We investigate the ground-state phase diagram of the half-filled one-dimensional Hubbard model with next-nearest-neighbor hopping using the Density-Matrix Renormalization Group technique as well as an unrestricted Hartree-Fock…