相关论文: Ferromagnetic instabilities in atomically-thin lit…
We present an extensive density functional theory study of the electronic, magnetic and transport properties of GaAs and AlAs digital ferromagnetic heterostructures. These can be obtained by $\delta$-doping with Mn the GaAs layers of a…
The current-carrying steady-state that arises in the middle of a metallic wire connected to macroscopic leads is characterized regarding its response functions, correlations and entanglement entropy. The spectral function and the dynamical…
A fermionic disordered one dimensional wire in the presence of attractive interactions is known to have two distinct phases: A localized and a superconducting one depending on the strength of interaction and disorder. The localized region…
Electrides are special ionic solids with excess cavity-trapped electrons serving as anions. Despite the extensive studies on electrides, the interplay between electrides and magnetism is not well understood due to the lack of stable…
In a common paradigm, the electronic structure of condensed matter is divided into weakly and strongly correlated compounds. While conventional band theory usually works well for the former class, many-body effects are essential for the…
We present electronic structure and transport calculations for hydrogen and lithium chains, using density functional theory and scattering theory on the Green's function level, to systematically study impurity effects on the transmission…
Low-dimensional electron systems often show a delicate interplay between electron-phonon and electron-electron interactions, giving rise to interesting quantum phases such as the charge density wave (CDW) and magnetism. Using the…
The structural, electronic and vibrational properties of atomic wires composed of the early alkali metals lithium and sodium are studied using density functional perturbation theory. The s-like electronic states near the Fermi level couple…
Two-dimensional moire superlattices have recently emerged as a fertile ground for creating novel electronic phases of matter with unprecedented control. Despite intensive efforts, theoretical investigation of correlated moire systems has…
In the band theory of ferromagnetism there is a relative shift in the position of majority and minority spin bands due to the self-consistent field due to opposite spin electrons. In the simplest realization, the Stoner model, the majority…
The correlation between electrons in different quantum wires is expected to affect the electronic properties of quantum electron-electron biwire systems. Here, we use the variational Monte Carlo method to study the ground-state properties…
In the present work ferromagnetic ordering in the Hubbard model generalized by taking into account the inter-atomic exchange interaction and correlated hopping in partially filled narrow band is considered. In the case of weak…
The influence of disorder and interaction on the ground state polarization of the two-dimensional (2D) correlated electron gas is studied by numerical investigations of unrestricted Hartree-Fock equations. The ferromagnetic ground state is…
MnAs/GaAs superlattices, made by $\delta$-doping GaAs with Mn, are known as digital ferromagnetic heterostructures. Here we present a theoretical density functional study of the electronic, magnetic and transport properties of such…
Several new aspects of the subtle interplay between electronic correlations and disorder are reviewed. First, the dynamical mean-field theory (DMFT)together with the geometrically averaged ("typical") local density of states is employed to…
We review the effects of electron-electron interactions on the ground-state spin and the transport properties of ultra-small chaotic metallic grains. Our studies are based on an effective Hamiltonian that combines a superconducting BCS-like…
Using density functional theory we investigate the lattice instability and electronic structure of recently discovered ferroelectric metal LiOsO$_3$. We show that the ferroelectric-like lattice instability is related to the Li-O distortion…
The Fe_{x}Co_{1-x}S_{2} system is predicted, on the basis of density functional calculations, to be a half metal for a large range of concentrations. Unlike most known half metals, the half metallicity in this system should be very stable…
The stability and electronic structure of a single monatomic Al wire has been studied using the ab initio pseudopotential method. The Al wire undergoes two structural rearrangements under compression, i.e., zigzag configurations at angles…
We consider a problem of superconductivity coexistence with the spin-density-wave order in disordered multiband metals. It is assumed that random variations of the disorder potential on short length scales render the interactions between…