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The wurtzite (wz) structure of CdS is analyzed using density functional theory within the generalized gradient approximation (GGA) and Hubbard correction (GGA+U). The total energy convergence evaluation is carried out concerning energy…
We derive the quantum Boltzmann equation (QBE) of composite fermions at/near the $\nu = 1/2$ state using the non-equilibrium Green's function technique. The lowest order perturbative correction to the self-energy due to the strong gauge…
Exact simulations of quantum circuits (QCs) are currently limited to $\sim$50 qubits because the memory and computational cost required to store the QC wave function scale exponentially with qubit number. Therefore, developing efficient…
We show how to compute the optical functions of Wide Parabolic Quantum Wells (WPQWs) exposed to uniform electric F applied in the growth direction, in the excitonic energy region. The effect of the coherence between the electron-hole pair…
A hybrid system which consists of a superconducting (SC) Pb film (100 nm thickness) containing $\sim$1 vol% single domain ferromagnetic (FM) Co particles of mean-size $\sim$4.5 nm reveal unusual magnetic properties: (i) a controlled…
By performing density functional theory (DFT) and Green's functions calculations, complemented by X-ray Photoemission Spectroscopy, we investigate the electronic structure of Fe/GeTe(111), a prototypical ferromagnetic/Rashba-ferroelectric…
Mechanical stacking of two dissimilar materials often has surprising consequences for heterostructure behavior. In particular, a two-dimensional electron gas (2DEG) is formed in the heterostructure of the topological crystalline insulator…
Successful modern generalized gradient approximations (GGA) are biased toward atomic energies. Restoration of the first-principles gradient expansion for the exchange energy over a wide range of density gradients eliminates this bias. We…
There is growing interest in bismuth-doped silicon (Si:Bi) as an alternative to the well-studied proposals for silicon based quantum information processing (QIP) using phosphorus-doped silicon (Si:P). We focus here on the implications of…
Anisotropic exchange-splitting in semiconductor quantum dots (QDs) results in bright-exciton fine-structure-splitting (FSS) important for quantum information processing. Direct measurement of FSS usually requires single/few QDs at…
We present a method for density-functional modeling of metallic overlayers grown on metallic supports. It offers a tool to study nanostructures and combines the power of self-consistent pseudopotential calculations with the simplicity of a…
The structure of the electron quantum size levels in spherical nanocrystals is studied in the framework of an eight--band effective mass model at zero and weak magnetic fields. The effect of the nanocrystal surface is modeled through the…
This paper advocates for an innovative approach designed for estimating optoelectronic properties of quantum structures utilizing Tight-Binding (TB) theory. Predicated on the comparative analysis between estimated and actual properties, the…
Large-area high density patterns of quantum dots with a diameter of 200 nm have been prepared from a series of four Zn_{0.93}Mn_{0.07}Te/ZnTe multiple quantum well structures of different well width (4 nm, 6 nm, 8 nm and 10 nm) by electron…
We demonstrate that quantum well states (QWS) of thin Pb films are highly perturbed within the proximity of intrinsic film defects. Scanning Tunneling Spectroscopy (STM/STS) measurements indicate that the energy of these states have a…
We provide a modification to the quantum phase estimation algorithm (QPEA) inspired on classical windowing methods for spectral density estimation. From this modification we obtain an upper bound in the cost that implies a cubic improvement…
We study numerically the strong-interaction limit of the exchange-correlation functional for neutral atoms and for Bohr atoms as the number of electrons increases. Using a compact representation, we analyse the second-order gradient…
Weakly interacting Fermi gases exhibit rich collective dynamics in spin-dependent potentials, arising from correlations between spin degrees of freedom and conserved single atom energies, offering broad prospects for simulating many-body…
We study superfluid (SF) states of strongly interacting Bose-Bose mixtures with equal mass and intra-component interaction in optical lattices both in the presence and absence of a barrier potential (BP). We show that the SF order…
Quantum embedding theories are promising approaches to investigate strongly-correlated electronic states of active regions of large-scale molecular or condensed systems. Notable examples are spin defects in semiconductors and insulators. We…