Related papers: Derivation of effective spin models from a three b…
The excitation spectrum of the frustrated spin-$1/2$ Heisenberg chain is reexamined using variational and exact diagonalization calculations. We show that the overlap matrix of the short-range resonating valence bond states basis can be…
We consider the slave-fermion Schwinger-boson decomposition of an effective model obtained through a systematic low-energy reduction of the three-band Hubbard Hamiltonian. The model includes a three-site term t'' similar to that obtained in…
By a canonical transformation of the three-band Hubbard model, we introduce an effective Hamiltonian for the propagation of two holes doped into the ground state of the Cu-O plane. When the pair belongs to the $^{1}B_{2}$ or $% ^{1}A_{2}$…
We investigated the spin excitations of magnetoelectric $\text{LiFePO}_4$ by THz absorption spectroscopy in magnetic fields up to 33$\,$T. By studying their selection rules, we found not only magnetic-dipole, but also electric-dipole active…
We introduce a $p_{z}-d$ coupling model Hamiltonian for the $\pi$-graphene/Au bands that predicts a rather large intrinsic spin-orbit (SO) coupling as are being reported in recent experiments and DFT studies. Working within the analytical…
Magnetic susceptibility measured for CaV$_4$O$_9$ is analyzed by a method with high temperature expansion. The analysis is consistent with the $g$-value which is close to 2 and is observed by an ESR experiment. Four exchange parameters in a…
The strong corrugation of the V4O9 layer in the spin gap system CaV4O9 is examined for its impact on the exchange coupling constants between the spin 1/2 V ions. Local spin density (LSD) calculations show that the V spin occupies a…
A strong-coupling expansion for models of correlated electrons in any dimension is presented. The method is applied to the Hubbard model in $d$ dimensions and compared with numerical results in $d=1$. Third order expansion of the Green…
We present a first-principles method for deriving effective low-energy models of electrons in solids having entangled band structure. The procedure starts with dividing the Hilbert space into two subspaces, the low-energy part ("$d$…
A quantum-mechanical model of Cu-O-Cu-O four-center four-electron part of the copper-oxide plane embedded in a superconducting crystal La$_{2-x}$Sr$% _{x}$CuO$_{4}$ (LSCO) is considered. It is shown that displacing the nearest-neighbor…
We theoretically explore the electronic structure of holes in cylindrical Germanium/Silicon core/shell nanowires using a perturbation theory approach. The approach yields a set of interpretable and transferable effective low-energy models…
We study the electronic excitations near the charge-transfer gap in insulating CuO$_2$ planes, starting from a six-band model which includes $% p_\pi $ and $d_{xy}$ orbitals and Cu-O nearest-neighbor repulsion $U_{pd}$. While the low lying…
Spin dynamics as well as static properties of the one-dimensional J-J' model (S=1/2, J>0 and 0\le \alpha=J'/J\le 0.5) are studied by the exact diagonalization and the recursion method of finite systems up to 26 sites. Especially, the…
Using the variational formula for operator product coefficients a method for perturbative calculation of the short-distance expansion of the Spin-Spin correlation function in the two dimensional Ising model is presented. Results of explicit…
In this second of three articles on the optical absorption of electrons in a half-filled Peierls-distorted chain we present exact results for strongly correlated tight-binding electrons. In the limit of a strong on-site interaction $U$ we…
Using linear response theory with the dynamical mean-field approximation we investigate the particle-hole instabilities of the two-band Hubbard model in the vicinity of the spin-state transition. Besides the previously reported…
Holes doped within the square CuO2 network specific to the cuprate superconducting materials have oxygen 2p character. We investigate the basic properties of such oxygen holes by wavefunction-based quantum chemical calculations on large…
We study the anisotropy energy in a planar model for the Cu-O layers of the La2CuO4 investigated in previous works. The Tight-Binding (TB) potential of the model was extended out of the validity region with the purpose of incorporate it in…
The spin-3/2 Heisenberg antiferromagnet on the bilayer honeycomb lattice is a minimal model to describe the magnetic behavior of Bi$_3$Mn$_4$O$_{12}$(NO$_3$). We study this model with frustrating inter-layer second-neighbor couplings,…
An effective low-energy Hamiltonian of itinerant electrons for iridium oxide Na2IrO3 is derived by an ab initio downfolding scheme. The model is then reduced to an effective spin model on a honeycomb lattice by the strong coupling…