相关论文: Ab initio effective Hamiltonians for cuprate super…

A remarkable discovery in recent years is that there exist various kinds of topological insulators and superconductors characterized by a periodic table according to the system symmetry and dimensionality. To physically realize these…

Using first-principles electronic structure calculations based on the Nth order muffin tin orbital (NMTO)-downfolding technique, we derived the low-energy spin model for CuTe2O5. Our study reveals that this compound is a 2D coupled…

We study a twisted Hubbard tube modeling the [CrAs] structure of quasi-one-dimensional superconductors A2Cr3As3 (A = K, Rb, Cs). The molecular-orbital bands emerging from the quasi-degenerate atomic orbitals are exactly solved. An effective…

Correlated many-body problems ubiquitously appear in various fields of physics such as condensed matter physics, nuclear physics, and statistical physics. However, due to the interplay of the large number of degrees of freedom, it is…

Transition metal compounds with the $(t_{2g})^4$ electronic configuration are expected to be nonmagnetic atomic singlets both in the weakly interacting regime due to spin-orbit coupling, as well as in the Coulomb dominated regime with…

We discuss a general and systematic method for obtaining effective Hamiltonians that describe different nonlinear optical processes. The method exploits the existence of a nonlinear deformation of the usual su(2) algebra that arises as the…

The development of sensible microscopic models is essential to elucidate the normal-state and superconducting properties of the iron-based superconductors. Because these materials are mostly metallic, a good starting point is an effective…

It is shown that four-component (4C), quasi-four-component (Q4C), and exact two-component (X2C) relativistic Hartree-Fock (HF) equations can be implemented in an unified manner, by making use of the atomic nature of the small components of…

Based on an attractive $U$ Hubbard model on a lattice with up to second neighbor hopping we derive an effective Hamiltonian for phase fluctuations. The superconducting gap is assumed to have s-wave symmetry. The effective Hamiltonian we…

High-temperature superconductivity has been discovered in La2-xBaxCuO4 [1], a compound that derives from the undoped La2CuO4 crystallizing in the perovskite T-structure. In this structure oxygen octahedra surround the copper ions. It is…

We perform a first principles band calculation for a group of quasi-two-dimensional organic conductors \beta-(BDA-TTP)2MF6 (M=P, As, Sb, Ta). The ab-initio calculation shows that the density of states (DOS) is correlated with the band width…

Hubbard-like Hamiltonians are widely used to describe on-site Coulomb interactions in magnetic and strongly-correlated solids, but there is much confusion in the literature about the form these Hamiltonians should take for shells of p and d…

Motivated by the recent discovery of a spin liquid phase for the Hubbard model on the honeycomb lattice at half-filling, we apply both perturbative and non-perturbative techniques to derive effective spin Hamiltonians describing the…

Motivated by cuprate and nickelate superconductors, we perform a comprehensive study of the superconducting instability in the single-band Hubbard model. We calculate the spectrum and superconducting transition temperature $T_{\rm c}$ as a…

The quantum mechanical motion of the atomic nuclei is considered over a single- or a multi-dimensional subspace of electronic states which is separated by a gap from the rest of the electronic spectrum over the relevant range of nuclear…

The nature of the effective spin Hamiltonian and magnetic order in the honeycomb iridates is explored by considering a trigonal crystal field effect and spin-orbit coupling. Starting from a Hubbard model, an effective spin Hamiltonian is…

We identify the low energy effective Hamiltonian that is expected to describe the low temperature properties of the frustrated magnet $\mathrm{Ca}_{10}\mathrm{Cr}_{7}\mathrm{O}_{28}$. Motivated by the fact that this effective Hamiltonian…

The derivation of effective spin models describing the low energy magnetic properties of undoped CuO_2-planes is reinvestigated. Our study aims at a quantitative determination of the parameters of effective spin models from those of a…

Workhorse theories throughout all of physics derive effective Hamiltonians to describe slow time evolution, even though low-frequency modes are actually coupled to high-frequency modes. Such effective Hamiltonians are accurate because of…

Based on experimental data on the newly synthesized iron-based superconductors and the relevant band structure calculations, we propose a minimal two-band BCS-type Hamiltonian with the interband Hubbard interaction included. We illustrate…