相关论文: Ab initio Derivation of Low-Energy Hamiltonians fo…
We consider an electrostatically induced square lattice of quantum dots and study the role of electron-electron correlations in the resulting electronic features of the system. We utilize the Wannier functions methodology in order to…
The approximation of nearest neighbor interaction (NNI) is widely used in short-time spin dynamics with dipole-dipole interactions (DDI) when the intensity of spin-spin interaction is $\sim 1/r^3$, where $r$ is a distance between those…
The interplay of spin-orbit-coupling and strong electronic correlations is studied for the single-layer and the bilayer compound of the strontium ruthenate Ruddlesden-Popper series by a combination of first-principles band-structure theory…
We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two…
To determine the strength of essential electronic and magnetic interactions in the iridates Sr$_2$IrO$_4$ and Ba$_2$IrO$_4$ - potential platforms for high-temperature superconductivity - we use many-body techniques from wavefunction-based…
The presence of spin-orbit coupling or non-collinear magnetic spin states can have dramatic effects on the ground-state and spectral properties of materials, in particular on the band structure. Here, we develop non-collinear…
Precisely knowing an interaction Hamiltonian is crucial to realize quantum information tasks, especially to experimentally demonstrate a quantum computer and a quantum memory. We propose a scheme to experimentally evaluate the spin-spin…
We consider a single particle tunnelling in a tight-binding model with nearest-neighbour couplings, in the presence of a periodic high-frequency force. An effective Hamiltonian for the particle is derived using an averaging method…
We systematically derive low-energy effective Hamiltonians for molecular solids $\beta^\prime$-$X$[Pd(dmit)$_{2}$]$_{2}$ ($X$ represents a cation) using ab initio density functional theory calculations and clarify how the cation controls…
We examine whether essence and quantitative aspects of electronic excitation spectra are correctly captured by an effective low-energy model constructed from an {\em ab initio} downfolding scheme. A global electronic structure is first…
We study a strongly attractive system of a few spin-1/2 fermions confined in a one-dimensional harmonic trap, interacting via two-body contact potential. Performing exact diagonalization of the Hamiltonian we analyze the ground state and…
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 present studies of an effective model which is a simple generalization of the standard model of a local pair superconductor with on-site pairing (i.e., the model of hard core bosons on a lattice) to the case of finite pair binding…
The conventional paradigm of charge order for La_{1-x}Ca_xMnO_3 for x=0.5 has been challenged recently by a Zener polaron picture emerging from experiments and theoretical calculations. The effective low energy Hamiltonian for the magnetic…
We present converged ab initio calculations of structure factors for elastic spin-dependent WIMP scattering off all nuclei used in dark matter direct-detection searches: $^{19}$F, $^{23}$Na, $^{27}$Al, $^{29}$Si, $^{73}$Ge, $^{127}$I, and…
We present a technique to map an electronic model with local interactions (a generalized multi-orbital Hubbard model) onto an effective model of interacting classical spins, by requiring that the thermodynamic potentials associated to spin…
We present a computational scheme to study spin excitations in magnetic materials from first principles. The central quantity is the transverse spin susceptibility, from which the complete excitation spectrum, including single-particle…
We study electrons hopping on a kagome lattice at third filling described by an extended Hubbard Hamiltonian with on-site and nearest-neighbour repulsions in the strongly correlated limit. As a consequence of the commensurate filling and…
We derive the low-energy effective action for three-dimensional superfluid Fermi systems in the strong-coupling limit, where superfluidity originates from Bose-Einstein condensation of composite bosons. Taking into account density and…
We address the issue of consistent interactions for off-shell fermion fields of arbitrary spin. These interactions play a crucial role in the quantum hadrodynamical description of high-spin baryon resonances in hadronic processes. The…