Related papers: Heterointerface potentials in the effective-mass a…
This research work introduces the DFT through FP-LAPW+lo technique in WIEN2k software to obtain information about structural, thermoelectric, and optoelectronic characteristics of CaZnC and CaZnSi materials. The structural optimization was…
Superconducting heterostructures with spin-active materials have emerged as promising platforms for engineering topological superconductors featuring Majorana bound states at surfaces, edges and vortices. Here we present a method for…
Quadratic-response theory is shown to provide a conceptually simple but accurate approximation for the self-consistent one-electron potential of semiconductor nanostructures. Numerical examples are presented for GaAs/AlAs and InGaAs/InP…
The periodized cluster dynamical mean-field theory (PCDMFT) combined with exact diagonalization as impurity solver has been applied to the half-filled standard Hubbard model on the honeycomb lattice. A correlated Dirac semimetal is found…
We explore the Hamiltonian operator H=-d^2/dx^2 + z \delta(x) where x is real, \delta(x) is the Dirac delta function, and z is an arbitrary complex coupling constant. For a purely imaginary z, H has a (real) spectral singularity at…
We study the superfluid properties of attractively interacting fermions hopping in a family of 2D and 3D lattices in the presence of synthetic gauge fields having \pi-flux per plaquette. The reason for such a choice is that the \pi-flux…
The k-projection method provides an approach to separate the contributions from different constituents in heterostructure systems and can act as an aid to connect the results of experiments and calculations. We show that the technique can…
Heterostructures of superconductors and quantum-Hall insulators are promising platforms of topological quantum computation. However, these two systems are incompatible in some aspects such as a strong magnetic field, the Meissner effect,…
Ab initio self-consistent total energy calculations using second order Moller-Plesset perturbation theory and Hay-Wadt effective core potentials with associated basis sets (HWECP's) for gallium and arsenic have been used to investigate the…
Electron-phonon interaction (EPI) is presumably detrimental for thermoelectric performance in semiconductors because it limits carrier mobility. Here we show that enhanced EPI with strong energy dependence offers an intrinsic pathway to…
The emergence of semiconducting materials with inert or dangling bond-free surfaces has created opportunities to form van der Waals heterostructures without the constraints of traditional epitaxial growth. For example, layered…
The non-destructive characterization of nanoscale devices, such as those based on semiconductor nanowires, in terms of functional potentials is crucial for correlating device properties with their morphological/materials features, as well…
GaN based high electron mobility transistors show promise in numerous device applications which elicits the need for accurate models of bulk, surface, and interface electronic properties. We detail here a hybrid density functional theory…
We present a semi-anisotropic interfacial potential (SAIP) designed to classically describe the interaction between gold and two-dimensional (2D) carbon allotropes such as graphene, fullerenes, or hydrocarbon molecules. The potential is…
Tight binding electrons on a honeycomb lattice are described by an effective Dirac theory at low energies. Lowering symmetry by an alternate ionic potential ($\Delta$) generates a single-particle gap in the spectrum. We employ the dynamical…
Stacked van der Waals (vdW) heterostructures where semi-conducting two-dimensional (2D) materials are contacted by overlayed graphene electrodes enable atomically-thin, flexible electronics. We use first-principles quantum transport…
Critical temperature reduction $\Delta T_c$ is considered for a thin film of a layered superconductor (S) with a rough surface covered by a thick layer of a normal metal (N). The roughness of the SN interface increases the penetration of…
The phase diagram of the attractive Hubbard model with spatially inhomogeneous interactions is obtained using a single site dynamical mean field theory like approach. The model is characterized by three parameters: the interaction strength,…
We analyze a one-component simple fluid in a liquid-vapor coexistence state, which forms an arbitrarily curved interface. By using an approach based on density functional theory, we obtain an exact and simple expression for the grand…
In semiconductor superlattices, when Bragg oscillating electrons interact with an input electromagnetic field, frequency multiplication is possible. An ideal superlattice has a purely antisymmetric voltage current response and can thus…