Related papers: Theory of electrical rectification in a molecular …
We present an {\it ab initio} analysis of electron conduction through a $C_{60}$ molecular device. Charge transfer from the device electrodes to the molecular region is found to play a crucial role in aligning the lowest unoccupied…
Structural defects in 2D-transition metal dichalcogenides are critical in modulating their optical and electrical behavior. Nevertheless, precise defect control within the monolayer regime poses a significant challenge. Herein, a…
We use the semi-classical approximation in perturbative scalar quantum electrodynamics to calculate the quantum correction to the Larmor radiation formula to first order in Planck's constant in the non-relativistic approximation, choosing…
Quantum transport through single molecules is very sensitive to the strength of the molecule-electrode contact. Here, we investigate the behavior of a model molecular junction weakly coupled to external electrodes in the case where charging…
Since recent both theoretical and experimental results have proved that the simple behaviour light alkaline metals present at equilibrium breaks when high pressures are applied, they have become an important object of study in Condensed…
The electronic structure of small Hubbard molecules coupled between two non-interacting semi-infinite leads is studied in the low bias-voltage limit. To calculate the finite-temperature Green's function of the system, each lead is simulated…
We present a self-consistent method for the evaluation of the electronic current flowing through a multi-terminal molecular wire. The method is based on Buttiker- Landauer theory which relates the current to one-electron scattering…
The electric quadrupole moment of the 33Al20 ground state, located at the border of the island of inversion, was obtained using continuous-beam beta-detected nuclear quadrupole resonance (beta-NQR). From the measured quadrupole coupling…
We present current-voltage (I-V) curves for phenylene ethynylene oligomers between two Au surfaces computed using a Density Functional Theory/Green's Function approach. In addition to the parent molecule, two different substituents are…
Interband transitions of electrons in a gapped graphene monolayer are highly stimulated near the Fermi surface when a high-frequency electric wave of weak intensity and a strong constant electric field are superposed in the plane of the…
We discuss the equivalence of the standard covariant expressions and light-front expressions of the three fundamental one loop Feynman diagrams of Quantum Electrodynamics viz. vertex correction, fermion self-energy and vacuum polarization…
In this paper, we give an update on divergent problems concerning the radiative corrections of quantum electrodynamics in $(3+1)$ dimensions. In doing so, we introduce a geometric adaptation for the covariant photon propagator by including…
In transport calculations for molecular junctions based on density functional theory the choice of exchange and correlation functional may dramatically affect the results. In particular local and semi-local functionals tend to…
We employ an effective Lagrangian approach to derive the leading-logarithm two-loop electroweak contributions to the muon anomalous magnetic moment, a_mu. We show that these corrections can be obtained using known results on the anomalous…
We study the electronic properties of the heterobilayer of vanadium and iron oxychlorides, VOCl and FeOCl, two layered air stable van der Waals insulating oxides with different types of antiferromagnetic order in bulk: VOCl monolayers are…
A variational treatment for a two-electron quantum dot (the artificial helium atom) is proposed which leads to exact answer for the ground state energy. Depending on the magnetic field value the singlet-triplet and triplet-triplet…
To improve the understanding of the relation between electrode curvature and energy storage mechanisms, a systematic investigation of the correlation between convex and concave electrode surfaces and the differential capacitance of an…
The quantum electrodynamic theory of the nuclear recoil effect in atoms to all orders in \alpha Z and to first order in m/M is considered. The complete \alpha Z - dependence formulas for the relativistic recoil corrections to the atomic…
Rare decays of B mesons, such as B \to K^*\gamma and B\to K^{(*)}\ell^+\ell^- are loop suppressed in the Standard Model and sensitive to new physics. The final state meson in heavy-light decays at large recoil has sizeable momentum in the…
Using molecular dynamics simulations with recently developed importance sampling methods, we show that the differential capacitance of a model ionic liquid based double-layer capacitor exhibits an anomalous dependence on the applied…