Related papers: A Full-Potential-Linearized-Augmented-Plane-Wave E…
The in-plane effective mass of quantum well states in thin Pb films on a Bi reconstructed Si(111) surface is studied by angle-resolved photoemission spectroscopy. It is found that this effective mass is a factor of three lower than the…
Electrons in image-potential states on the surface of bulk helium represent a unique model system of a two-dimensional electron gas. Here, we investigate their properties in the extreme case of reduced film thickness: a monolayer of helium…
We study the anomalous electromagnetic scattering in the homogenization regime, by a subwavelength thin layer of periodically distributed plasmonic nanoparticles on a perfect conducting plane. By using layer potential techniques, we derive…
Equilibrium polyethylene crystal structure, cohesive energy, and elastic constants are calculated by density-functional theory applied with a recently proposed density functional (vdW-DF) for general geometries [Phys. Rev. Lett. 92, 246401…
Electronic correlations associated with incipient magnetism have long been recognized as an important factor in stabilizing the largest atomic volume $\delta$ phase of plutonium, yet their strength compared to those in the rare earths and…
Using lattice simulations of quenched QCD we estimate the finite size effects present when a gluon plasma equilibrates in a slab geometry, i.e., finite width but large transverse dimensions. Significant differences are observed in the free…
Recent Magnetospheric Multiscale (MMS) observations report approximate equality between electric and magnetic field energy spectral densities, $\varepsilon_{0} P[\delta E]/2 \approx P[\delta B]/(2\mu_{0})$, at sub-electron scales in…
We use the Wilkinson Microwave Anisotropy Probe (WMAP) data on the spectrum of cosmic microwave background anisotropies to put constraints on the present amount of lepton asymmetry L, parameterized by the dimensionless chemical potential…
By developing a canonical approach that is exact, physically transparent and subtly different from standard methods, we present a systematic study with exact analytical calculations based on a Landau Level (LL) picture of the energetics of…
Electric double layers (EDL) with counterions only, say electrons with the elementary charge $-e$, in thermal equilibrium at the inverse temperature $\beta$ are considered. In particular, we study the effect of the surface charge modulation…
We present a Density Functional Theory (DFT) based study of the structural and magnetic properties of the (001) surface of the semiconducting oxide ZnFe2O4 (spinel structure). The calculations were performed using the DFT based ab initio…
We present a theoretical model of the electronic structure of delta-Pu that is consistent with many of the electronic structure related properties of this complex metal. In particular we show that the theory is capable of reproducing the…
In the field of molecular electronics thin films of molecules adsorbed on insulating surfaces are used as the functional building blocks of electronic devices. A control of the structural and electronic properties of the thin films is…
The potential-energy surfaces of an extended set of heavy and super-heavy even-even nuclei with $92 \le Z \le 126$ and isospins $40 \le N-Z \le 74$ are evaluated within the recently developed Fourier shape parametrization. Ground-state and…
We present an approach that combines the local density approximation (LDA) and the dynamical mean-field theory (DMFT) in the framework of the full-potential linear augmented plane waves (FLAPW) method. Wannier-like functions for the…
By an idealized quantum mechanical model, we formally describe the dispersion of nonretarded electromagnetic waves that express charge density oscillations near a fixed plane in three spatial dimensions (3D) at zero temperature. Our goal is…
In this work, we present a computationally efficient methodology that utilizes a local real-space formulation of the projector augmented wave (PAW) method discretized with a finite-element (FE) basis to enable accurate and large-scale…
Results are presented for spin-wave dispersions in geometrically frustrated stacked triangular antiferromagnets with a thin film or semi-infinite geometry having either zero, easy-plane, or easy-axis anisotropy. Surface effects on the…
First-principles calculations of Cu(001) free-standing thin films have been performed to investigate the oscillatory quantum size effects exhibited in surface energy, work function, atomic relaxation, and adsorption energy of the cesium…
We present a detailed quantum mechanical non empirical DFT investigation of the energy-optimized geometries, phase stabilities and electronic properties of bulk Pt3N, PtN and PtN2 in a set of twenty different crystal structures. Structural…