Related papers: Charge and magnetic orders in a two-band model wit…
We show that charge ordering (more precisely, two-sublattice bond disproportionation) in the rare earth nickelate perovskites is intimately related to a negative charge transfer energy. By adding an additional potential on the Ni d states…
Electronic properties of quasi-two-dimensional molecular conductors $X$[Pd(dmit)$_2$]$_2$ are studied theoretically. We construct an effective model based on the fragment molecular orbital scheme developed recently, which can describe the…
The nature of the charge order in the charge frustrated compound LuFe$_2$O$_4$ and its effect on magnetocapacitance were examined on the basis of first-principles electronic structure calculations and Monte Carlo simulations of…
The origin of non-collinear magnetic order in UO$_{2}$ is studied by an ab initio dynamical-mean-field-theory framework in conjunction with a linear-response approach for evaluating inter-site superexchange interactions between U 5$f^{2}$…
We study a two-band Hubbard model using the dynamical mean-field theory combined with the exact diagonalization method. At the electron density $n=2$, a transition from a band-insulator to a correlated semimetal occurs when the on-site…
Neutron-scattering experiments were performed to study the magnetic field effect on the electron-doped cuprate superconductor Nd_{1.86}Ce_{0.14}CuO_4, which shows the coexistence of magnetic order and superconductivity. The (1/2 3/2 0)…
We present a study of the magnetic-field effect on spin correlations in the charge ordered triangular Ising system LuFe2O4+{\delta} through single crystal neutron diffraction. In the absence of a magnetic field, the strong diffuse neutron…
We report a detailed neutron scattering study of the ordering of spins and holes in oxygen-doped La(2)NiO(4.133). The single-crystal sample exhibits the same oxygen-interstitial order but better defined charge-stripe order than that studied…
Taking the orbital degeneracy of $e_g$ conduction bands and the Coulomb interaction into account in a double-exchange model, we investigate charge dynamics of perovskite Mn oxides by the Lancz$\ddot{\rm o}$s diagonalization method. In the…
Cr$_{\frac{1}{4}}$NbSe$_2$ is a triangular lattice magnet in which magnetic Cr$^{3+}$ ions are intercalated to form triangular lattices between NbSe$_2$ van der Waals layers stacked along the c axis. By unpolarized and polarized neutron…
The discovery of superconductivity in Sr-doped NdNiO$_{2}$ is a crucial breakthrough in the long pursuit for nickel oxide materials with electronic and magnetic properties similar to those of the cuprates. NdNiO$_2$ is the infinite-layer…
We analyze the competition of magnetism and superconductivity in the two-dimensional Hubbard model with a moderate interaction strength, including the possibility of incommensurate spiral magnetic order. Using an unbiased renormalization…
In heavy-fermion compounds, the dual character of $f$ electrons underlies their rich and often exotic properties like fragile heavy quasipartilces, variety of magnetic orders and unconventional superconductivity. 5$f$-electron actinide…
We investigate the ground-state properties of the two-dimensional Hubbard model, based on the off-diagonal wave function variational Monte Carlo method. We use an optimized wave function that is improved from an initial one-body wave…
The delicate interplay among the complex intra-/inter-layer electron-electron and electron-lattice interactions is the fundamental prerequisite of these exotic quantum states, such as superconductivity, nematic order, and checkerboard…
Flat electronic bands enable fascinating emergent phenomena such as superconductivity and charge orders. A prevailing approach to realizing flat bands is to engineer lattice geometric constraints in twisted or kagome-like materials. An…
We study a two-orbital spin model to describe (pi,0) stripe antiferromagnetism in the iron pnictides. The "double-spin" model has an on-site Hunds's coupling and inter-site interactions extending to second neighbors (inter- and…
The minimal model for infinite-layer nickelates remains under debate, particularly regarding the hybridization between itinerant interstitial-$s$ and the correlated Ni-3$d_{x^2-y^2}$ orbitals, as well as the interaction between…
We study a system of electrons interacting through long--range Coulomb forces on a one--dimensional lattice, by means of a variational ansatz which is the strong--coupling counterpart of the Gutzwiller wave function. Our aim is to describe…
We study the resonant x-ray magnetic scattering (RXMS) around the K edge of Ni in the antiferromagnet NiO, by treating the 4p states of Ni as a band and the 3d states as localized states. We propose a mechanism that the 4p states are…