Related papers: Effective Hamiltonian for FeAs based superconducto…
Using the tight-binding method in combination with first-principles calculations, we systematically derive a low-energy effective Hilbert subspace and Hamiltonian with spin-orbit coupling for two-dimensional hydrogenated and halogenated…
We show how to perform universal Hamiltonian and adiabatic computing using a time-independent Hamiltonian on a 2D grid describing a system of hopping particles which string together and interact to perform the computation. In this…
Recent advances in occupancy extrapolation (OE) show that potential of orbital-occupation based energy functions can describe electronic excitations. Here, the OE method in the particle-hole channel is extended to an effective quasiparticle…
Comparing experimental data for high temperature cuprate superconductors with numerical results for electronic models, it is becoming apparent that a hopping along the plaquette diagonals has to be included to obtain a quantitative…
In this paper a multi-band envelope-function Hamiltonian for lattice-matched semiconductor heterostructures is derived from first-principles norm-conserving pseudopotentials. The theory is applicable to isovalent or heterovalent…
\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 investigated the in-plane transport properties of the Fe-based superconductor Ba$_{1-x}$K$_{x}$Fe$_{2}$As$_{2}$ with a wide composition range $0 \leq x \leq 0.55$. We show that the doping dependence of the Hall coefficient is…
We study a system composed of fermions (electrons), hopping on a square lattice, and of immobile particles (ions), that is described by the spinless Falicov-Kimball Hamiltonian augmented by a next-nearest-neighbor attractive interaction…
LDA+DMFT (Local Density Approximation combined with Dynamical Mean-Field Theory) computation scheme has been used to calculate spectral properties of LaFeAsO -- the parent compound for new high-T$_c$ iron oxypnictides. Coulomb repulsion $U$…
Magnetism in strongly correlated honeycomb systems with $d^5$ electronic configuration has garnered significant attention due to its potential to realize the Kitaev spin liquid state, characterized by exotic properties. However, real…
Despite having the simplest atomic structure, bulk FeSe has an observed electronic structure with the largest deviation from the band theory predictions among all Fe-based superconductors and exhibits a low temperature nematic electronic…
An effective Hamiltonian is derived for two coupled three-Josephson-junction (3JJ) qubits. This is not quite trivial, for the customary "free" 3JJ Hamiltonian is written in the limit of zero inductance L. Neglecting the self-flux is already…
A long-wavelength, low energy hamiltonian is derived to describe the dynamic of a single hole in a quantum antiferromagnet in two or higher spatial dimensions. In this {\em exactly solvable} limit a {\em new} kind of symmetry is important…
A two-orbital model for Fe-pnictide superconductors is investigated using computational techniques on two-dimensional square clusters. The hopping amplitudes are derived from orbital overlap integrals, or by band structure fits, and the…
The band structure of Ca_3PbO, which possesses a three-dimensional massive Dirac electron at the Fermi energy, is investigated in detail. Analysis of the orbital weight distributions on the bands obtained in the first-principles calculation…
By utilizing a multi-orbital periodic Anderson model with parameters obtained from \textit{ab initio} band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that…
The two-dimensional Hubbard model is studied for small values of the interaction strength (U of the order of the hopping amplitude t), using a variational ansatz well suited for this regime. The wave function, a refined Gutzwiller ansatz,…
We construct a class of exact ground states for correlated electrons on pentagon chains in the high density region and discuss their physical properties. In this procedure the Hamiltonian is first cast in a positive semidefinite form using…
In paper III of this series (arXiv:0901.3612) we proposed a scenario of superconductivity driven by hole "undressing" that involved a complete redistribution of the occupation of single particle energy levels: the holes near the top of the…
We investigate theoretically the superfluidity of a one-dimensional boson system whose hopping energy is periodically modulated with a zero time average, which results in the suppression of first-order single-particle hopping processes. The…