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We consider a \textit{mass-asymmetric} electron and hole bilayer. Electron and hole Coulomb correlations and electron and hole quantum effects are treated on first princles by path integral Monte Carlo methods. For a fixed layer separation…
Tunneling is a fundamental quantum process with no classical equivalent, which can compete with Coulomb interactions to give rise to complex phenomena. Phosphorus dopants in silicon can be placed with atomic precision to address the…
We explore exchange coupling of a pair of spins in a double dot and in an optical lattice. Our algorithm uses the frequency of exchanges in a bosonic path integral, evaluated with Monte Carlo. This algorithm is simple enough to be a "black…
We consider layered decorated honeycomb lattices at two-thirds filling, as realized in some trinuclear organometallic complexes. Localized $S=1$ moments with a single-spin anisotropy emerge from the interplay of Coulomb repulsion and spin…
The study of warm dense matter, widely existing in nature and laboratories, is challenging due to the interplay of quantum and classical fluctuations. We develop a variational diagrammatic Monte Carlo method and determine the…
We study the effect of the coupling between the hole $s$ shell of one quantum dot and the $p$ shell in the other dot forming a quantum dot molecule on the spin relaxation between the sublevels of the hole $s$ state. Using an effective model…
Electron-hole correlation in quantum-dot quantum wells (QDQW's) is investigated by incorporating Coulomb and exchange interactions into an empirical tight-binding model. Sufficient electron and hole single-particle states close to the band…
We present the results of Monte Carlo simulations of the magnetic properties of a model for a single nanoparticle consisting in a ferromagnetic core surrounded by an antiferromagnetic shell. The simulations of hysteresis loops after cooling…
We develop an effective tight-binding Hamiltonian for spin-orbit (SO) interaction in bent carbon nanotubes (CNT) for the electrons forming the $\pi$ bonds between the nearest neighbor atoms. We account for the bend of the CNT and the…
The effect of the anisotropy in the exchange interaction on the phase diagrams and magnetization behavior of the Heisenberg thin film has been investigated with effective field formulation in a two spin cluster using the decoupling…
The effect of the anisotropy in the exchange interaction on the critical temperature and the order parameter of the anisotropic Heisenberg model on a core-shell structured nanotube geometry has been investigated. As a formulation, effective…
In twisted bilayer semiconductors with arbitrary twisting angles, a chiral excitonic system can arise from the interlayer electron-hole Coulomb exchange interaction (F\"{o}rster coupling) that hybridizes the anisotropic intralayer excitons…
We present here the results of calculations of photoelectrons' angular anisotropy and spin-polarization parameters for a number of semi-filled shell atoms. We consider ionization of outer or in some cases next to the outer electrons in a…
A generalization of the recently discovered cooperative internal conversion process is investigated theoretically. In the cooperative internal conversion process by proton exchange investigated the coupling of bound-free electron and proton…
We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extract these coupling constants using a density functional…
We present a controlled method for computing the exchange coupling in correlated one-dimensional electron systems based on the relation between the exchange constant and the pair-correlation function of spinless electrons. This relation is…
An exchange-correlation energy functional $ E_{\mathrm xc} $ and the resultant exchange-correlation potential $ v_{\mathrm xc}({\bf r}) $ in density-functional theory are proposed using orbital-dependent coupling-constant-averaged pair…
Density functional theory calculations for the electronic structures of the 4H-SiC(0001)/SiO$_2$ interface with atomic-scale steps are carried out to investigate the effect of NO annealing. The characteristic behavior of the conduction band…
This paper derives the anisotropic superexchange interactions from a Hubbard model for excitations within the copper 3d band and the oxygen 2p band of the undoped insulating cuprates. We extend the recent calculation of Yildirim et al.…
Density functionals with a range-separated treatment of the exchange energy are known to improve upon their semilocal forerunners and fixed-fraction hybrids. The conversion of a given semilocal functional into its short-range analog is not…