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We construct and apply an exchange-correlation functional for the one-dimensional Hubbard model. This functional has built into it the Luttinger-liquid and Mott-insulator correlations, present in the Hubbard model, in the same way in which…
We investigate the electronic properties of two-dimensional electron gases (2DEGs) subjected to a periodic patterned gate. By incorporating the superlattice (SL) potential induced by patterning into the Schrodinger equation, we develop a…
In cellular systems, the user equipment (UE) can request a change in the frequency band when its rate drops below a threshold on the current band. The UE is then instructed by the base station (BS) to measure the quality of candidate bands,…
Quantum error correction codes with non-local connections such as quantum low-density parity-check (qLDPC) incur lower overhead and outperform surface codes on large-scale devices. These codes are not applicable on current superconducting…
The electronic structures of four semiconductor compounds BaCu2S2, BaCu2Se2, BaAg2S2, and BaAg2Se2 are studied by density functional theory using both semi-local and hybrid functionals. The ionization energies and electron affinities were…
Electronic band structure and optical properties of zinc monochalcogenides with zinc-blende- and wurtzite-type structures were studied using the ab initio density functional method within the LDA, GGA, and LDA+U approaches. Calculations of…
A new method for calculation of band structure has been proposed based on the Green's function theory and local sampling. Potential energy in the Hamiltonian of Schrodinger's equation is approximated with a series of sampled Dirac delta…
Herein a genetic algorithm for optimising the design of layered 2D heterostructure is proposed. As a proof-of-concept it is applied to Sb$_2$Te$_3$-GeTe phase-change material superlattices, and the resulting lowest energy structure is grown…
We consider methods for optimizing the bandgap calculation of 3D materials, considering 340 sample materials. Examined are the effects of the choice of the pseudopotential to describe core electrons, the plane-wave basis set cutoff energy,…
We use tunable laser based Angle Resolved Photoemission Spectroscopy to study the electronic structure of the multi-band superconductor, MgB2. These results form the base line for detailed studies of superconductivity in multi-band systems.…
Continuous-Variable Quantum Key Distribution (CVQKD) at large distances has such high noise levels that the error-correcting code must have very low rate. In this regime it becomes feasible to implement random-codebook error correction,…
Stoichiometric LiFeAs at ambient pressure is an 18 K superconductor while isoelectronic MgFeGe is not, despite their extremely similar electronic structures. To investigate possible sources of this distinctively different superconducting…
We study the compatibility between the $K^-\Lambda$ correlation function, recently measured by the ALICE collaboration, and the LHCb $K^-\Lambda$ invariant mass distribution obtained in the $\Xi^-_b \to J/\psi \Lambda K^-$ decay. The…
We have performed {\it ab initio} calculations for a series of energetic solids to explore their structural and electronic properties. To evaluate the ground state volume of these molecular solids, different dispersion correction methods…
The homogeneous electron gas (HEG) is a key ingredient in the construction of most exchange-correlation functionals of density-functional theory. Often, the energy of the HEG is parameterized as a function of its spin density $n$, leading…
We reanalyze the constraints imposed on lepton-number violating interactions by radiative contributions to neutrino masses at the one- and two-loop level in supersymmetric models without R-parity. The interactions considered are the $\Delta…
Unlike the local density approximation (LDA) and the generalized gradient approximation (GGA), calculations with meta-generalized gradient approximations (meta-GGA) are usually done according to the generalized Kohn-Sham (gKS) formalism.…
The beta-encoder was recently proposed as a quantization scheme for analog-to-digital conversion; in contrast to classical binary quantization, in which each analog sample x in [-1,1] is mapped to the first N bits of its base-2 expansion,…
Moir\'{e} superlattices (MSLs) in van der Waals (vdW) heterostructures have demonstrated their incredible power in driving emergent electronic phenomena, some of which are reminiscent of those usually only observed in bulk strongly…
Based on a successful description of II-VI ternary alloys, which introduces an empirical bowing parameter to the widely used virtual crystal approximation, we set up a tight-binding Hamiltonian to describe the Zn_{1-y}Cd_ySe_{1-x}Te_x and…