相关论文: Ab initio effective Hamiltonians for cuprate super…
Developing realistic and precise models of the electronic properties of organic molecular crystals is crucial for understanding the full range of strongly correlated phases that they exhibit. By using \textit{ab initio} model construction…
A full three-band model for the CuO$_{2}$ plane with inclusion of all essential interactions - Cu-O and O-O hopping, repulsion at the copper and oxygen and between them - is considered. A general procedure of the low-energy reduction of the…
When atomically thin two-dimensional (2D) materials are layered they often form incommensurate non-crystalline structures that exhibit long-period moir{\' e} patterns when examined by scanning probes. In this paper we present an approach…
Method of invariants is used to obtain effective kp-Hamiltonian with position-dependent band parameters and correct boundary conditions for electron and hole envelope functions in A3B5-heterostructures with arbitrary interface orientation.…
\textit{Ab initio} pseudo-atomic orbital (PAO) Hamiltonians express the electronic structure of a solid in a compact, localized basis that spans the same Hilbert space as a conventional Slater--Koster tight-binding model, thereby providing…
We derive an effective Hamiltonian for phase fluctuations in an s-wave superconductor starting from the attractive Hubbard model on a square lattice. In contrast to the common assumption, we find that the effective Hamiltonian is not the…
It has long been argued that the minimal model to describe the low-energy physics of the high-Tc superconducting cuprates must include copper states of other symmetries besides the canonical x2-y2 one, in particular the z2 orbital.…
We derive analytic expressions for the critical temperatures of the superconducting (SC) and pseudogap (PG) phases of the high-Tc cuprates, which are in excellent agreement with the experimental data for single-layered materials such as…
Based on the standard many-fermion field theory, the authors construct models describing ultracold fermions in a 1D optical lattices by implementing a mode expansion of the fermionic field operator where modes, in addition to space…
We report on an effective Hubbard Hamiltonian approach for the study of electronic correlations in C$_{20}$ isomers, cage, bowl and ring, with quantum Monte Carlo and exact diagonalization methods. The tight-binding hopping parameter, $t$,…
Based on the recently proposed band model, the electronic specific heat of moderately heavy electron compound YbAl$_3$ are investigated. The band term of the Hamiltonian consists of three parts; conduction electrons described by the nearly…
The theoretical need to study the properties of the Fe-based high-T_c superconductors with reliable many-body techniques requires us to determine the minimum number of orbital degrees of freedom that will capture the physics of these…
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 $% ^{1}A_{2}$…
By electron or hole doping quantum antiferromagnets may turn into high-temperature superconductors. The low-energy dynamics of antiferromagnets are governed by their Nambu-Goldstone bosons -- the magnons -- and are described by an effective…
This paper presents a renormalization approach to many-particle systems. By starting from a bare Hamiltonian ${\cal H}= {\cal H}_0 +{\cal H}_1$ with an unperturbed part ${\cal H}_0$ and a perturbation ${\cal H}_1$,we define an effective…
In this paper we give the full microscopic derivation of the model Hamiltonian for the three dimensional topological insulators in the $Bi_2Se_3$ family of materials ($Bi_2Se_3$, $Bi_2Te_3$ and $Sb_2Te_3$). We first give a physical picture…
We construct almost invariant subspaces and the corresponding effective Hamiltonian for magnetic Bloch bands. We also discuss the question of the dynamics related to the effective Hamiltonian. We assume that the magnetic and electric…
The present paper reviews recent achievements on the ab initio determination of effective model Hamiltonians aimed at the description of strongly correlated materials. These models (Heisenberg, $t-J$, extended Hubbard, Kondo, etc) are…
We present recent theoretical results on superconductivity in correlated-electron systems, especially in the two-dimensional Hubbard model and the three-band d-p model. The mechanism of superconductivity in high-temperature superconductors…
We represent the superconducting ceramic compounds by the single band extended Hubbard model. We solve this model for the simultaneous presence of antiferromagnetism and the d-wave superconductivity in the Hartree-Fock (H-F) and in the…