Related papers: On structure-stabilizing electronic interferences …
The structure optimization, phonon, and ab initio finite temperature molecular dynamics calculations have been performed to predict that bilayer silicene has stable structure with AB stacking geometry and is more favorable energetically to…
We have studied the ground state of the one dimensional Hubbard superlattice structures with different unit cell sizes in the presence of electric field. Self consistent Hartree-Fock approximation calculation is done in the weak to…
We study the electronic structure and the magnetic correlations of cyanocobalamin ($C_{63}H_{88}CoN_{14}O_{14}P$) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition metal impurity in a…
The valence band (VB) structure of an Al0.5TiZrPdCuNi high-entropy alloy (HEA) obtained from X-ray photoelectron spectroscopy has been compared to that recently calculated by Odbadrakh et al, 2019. Both experimental and theoretical VBs show…
The effect of electron-lattice interaction is studied for a strongly correlated electron system described by the two-band Hubbard model. A two-fold effect of electron-lattice interaction is taken into account: in non-diagonal terms, it…
The compound-tunable embedding potential (CTEP) method is applied to study actinide substitutions in the niobate crystals YNbTiO$_6$ and CaNb$_2$O$_6$. Two one-center clusters centered on Ca and Y are built and 20 substitutions of Ca and Y…
We present an ab initio study of the electronic stopping power of protons in copper over a wide range of proton velocities $v = 0.02-10~\mathrm{a.u.}$ where we take into account non-linear effects. Time-dependent density functional theory…
A model for correlated electrons in a lattice with local additional spin--1 degrees of freedom inducing constrained hopping, is studied both in the low density limit and at quarter filling. We show that in both 1D and 2D two particles form…
The formation of charge-density-wave order in Dirac fermion systems via electron-phonon coupling represents a significant topic in condensed matter physics. In this work, we investigate this phenomenon within the Holstein model on the…
Intermetallics are an important playground to stabilize a large variety of physical phenomena, arising from their complex crystal structure. The ease of their chemical tuneabilty makes them suitable platforms to realize targeted electronic…
We review recent progress in understanding the different spatial broken symmetries that occur in the normal states of the family of charge-transfer solids (CTS) that exhibit superconductivity (SC), and discuss how this knowledge gives…
We survey the use of spectroscopic imaging STM to probe the electronic structure of underdoped cuprates. Two distinct classes of electronic states are observed in both the d-wave superconducting (dSC) and the pseudogap (PG) phases. The…
Dispersion properties of electromagnetic crystals formed by small uniaxial resonant scatterers (magnetic or electric) are studied using the local field approach. The goal of the study is to determine the conditions under which the…
Motivated by recent experiments on radiative recombination of two-dimensional electrons in acceptor doped GaAs-AlGaAs heterojunctions as well as the success of a harmonic solid model in describing tunneling between two-dimensional electron…
We investigate the electronic and structural properties of CuO, which shows significant deviations from the trends obeyed by other transition-metal monoxides. Using an extended Hubbard corrective functional, we uncover an orbitally ordered…
We use a classical, microscopic model of point-like dipolarizable entities (a model that is standard in the case of positive polarizability) and investigate its behavior for simple cubic (sc), body-centered cubic (bcc), and face-centered…
Plasmons, collective excitations of electrons in solids, are associated with strongly confined electromagnetic fields, with wavelengths far below the wavelength of photons in free space. This strong confinement promises the realization of…
The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local density approximation band-structure Hamiltonian. The Hubbard term is then solved either at the…
We consider a disordered two-dimensional system of independent lattice electrons in a perpendicular magnetic field with rigid confinement in one direction and generalized periodic boundary conditions (GPBC) in the other direction. The…
We calculate the oscillations of the DC conductance across a mesoscopic ring, simultaneously tuned by applied magnetic and electric fields orthogonal to the ring. The oscillations depend on the Aharonov-Bohm flux and of the spin-orbit…