Related papers: Ab initio Calculations of the Interface States of …
There is a growing interest in the study of coupled plasma-liquid systems because of their applications to biomedicine, biological and chemical disinfection, agriculture, and other areas. Without an understanding of the near-surface gas…
In this letter we study the electronic structures and optical properties of partially and fully fluorinated graphene by a combination of abinitio G0W0 calculations and large-scale multi-orbital tight-binding simulations. We find that for…
We consider the scaling limit of a generic ferromagnetic system with a continuous phase transition, on the half plane with boundary conditions leading to the equilibrium of two different phases below criticality. We use general properties…
The band structure and electronic properties in a series of vinylene-linked heterocyclic conducting polymers are investigated using density functional theory (DFT). In order to accurately calculate electronic band gaps, we utilize hybrid…
Open quantum systems are powerful effective descriptions of quantum systems interacting with their environments. Studying changes of Fock state probabilities can be intricate in this context since the prevailing description of open quantum…
A prototypical organic photovoltaic material is a heterojunction composed of the blend of regioregular poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C$_{61}$-butyric acid methyl ester (PCBM). Microscopic understanding of the energy…
We have investigated interlayer interactions in the bilayer PtTe$_{2}$ system, which influence the electronic energy bands near the Fermi levels. Our diffusion Monte Carlo (DMC) calculations for the high-symmetry bilayer stackings (AA, AB,…
Weyl fermions have not been found in nature as elementary particles, but they emerge as nodal points in the band structure of electronic and classical wave crystals. Novel phenomena such as Fermi arcs and chiral anomaly have fueled the…
The effective quasistatic conductivity of composite polymeric electrolytes is studied in terms of a hard-core--penetrable-layer model. Used to incorporate the interface phenomena (such as amorphization of the polymer matrix around filler…
We consider plane junctions with graphene electrodes, which are formed by a single-level system ("molecule") placed between the edges of two single-layer graphene half planes. We calculate the edge Green functions of the electrodes and the…
The geometric phase and topological property for one-dimensional hybrid plasmonic-photonic crystals consisting of a simple lattice of graphene sheets are investigated systematically. For transverse magnetic waves, both plasmonic and…
The energy bands and the global density of states are computed for superconductor / normal-metal superlattices in the clean limit. Dispersion relations are derived for the general case of insulating interfaces, including the mismatch of…
We explore the electronic ground states of Bernal-stacked multilayer graphenes using the Hartree-Fock mean-field approximation and the full-parameter band model. We find that the electron-electron interaction tends to open a band gap in…
By combining ab-initio electron theory and statistical mechanics, the physical properties of the ternary intermetallic system Ni-Fe-Al in the ground state and at finite temperatures were investigated. The Ni-Fe-Al system is not only of high…
We study the interlayer pairing states in layered systems of two different 2d electronic subsystems, one with relativistic linear and the other with non-relativistic parabolic spectrum. The complex order parameter of the paired state has a…
Graphene's exceptional electronic mobility, gate-tunability, and contact transparency with superconducting materials make it ideal for exploring the superconducting proximity effect. However, the work function difference between graphene…
A general analysis for the competition between breached pairing (BP) and LOFF pairing mechanisms in asymmetric fermion superfluids is presented in the frame of a four fermion interaction model. Two physical conditions which can induce…
Using mean-field theory, we determine the electronic phase diagram of undoped AB-stacked bilayer graphene in the presence of a transverse electric field. In addition to multiple competing electronic instabilities characterized by excitonic…
We study the electron transmission through the domain boundary on bilayer graphene separating AB and BA stacking regions. Using the effective continuum model, we calculate the electron transmission probability as a function of the electron…
Labyrinthine patterns arise in two-dimensional physical systems submitted to competing interactions, ranging from the fields of solid-state physics to hydrodynamics. For systems of interacting particles, labyrinthine and stripe phases were…