Related papers: Electronic Structure of First and Second Row Atoms…
This report presents a systematic understanding of the nature behind the unusual behavior of a nanosolid, and a surface as well, in mechanics, thermodynamics, acoustics, optoelectronics, magnetism, dielectrics, atomic diffusivity and…
The influence of pressure on finite-nuclear-size corrections to atomic energy levels and electron-capture decay rate is investigated in confined hydrogenlike ions. The ions are modeled inside an impenetrable spherical cavity, with a…
At high pressure, the typical behavior of elements dictated by the periodic table - including oxidation numbers, stoichiometries in compounds, and reactivity, to name but a few - is altered dramatically. As pressure is applied, the…
We study the motion of two atoms trapped at distant positions in the field of a driven standing wave high-Q optical resonator. Even without any direct atom-atom interaction the atoms are coupled through their position dependent influence on…
Elements of group I in the Periodic table have valence electrons of s-type and are usually considered as simple metals. Crystal structures of these elements at ambient pressure are close-packed and high-symmetry of bcc and fcc types,…
This study looks at the confinement effects of Aharonov-Bohm (AB) flux and magnetic fields, as well as topological defects in a quantum plasma, on the hydrogen atom. The joint effects show that the system is extremely attractive.…
The intriguing physics and rich application potential of strongly correlated first-row transition metal oxide compounds result from the complex interplay of several factors that influence the electronic structure. To shed light on the…
$\beta$-Si$_{6-z}$Al$_{z}$O$_{z}$N$_{8-z}$ is a prominent example of systems suitable as hosts for creating materials for light-emitting diodes. In this work, the electronic structure of a series of ordered and disordered…
Recently, it was shown that the coupling of center-of-mass and relative motion in atomic systems leads to inelastic confinement-induced resonances (ICIRs) [Phys. Rev. Lett. 109, 073201 (2012)]. In the present work, the possible occurrence…
Manipulating energy levels while controlling the electron localization is an essential step for many applications of confined systems. In this paper we demonstrate how to achieve electron localization and induce energy level oscillation in…
We report on a theoretical study of the electronic structures of the [111]-oriented, free-standing, zincblende InAs and InP nanowires with hexagonal cross sections by means of an atomistic $sp^{3}s^{*} $, spin-orbit interaction included,…
Recent experimental results on two hcp phases of barium under high pressure show interesting variation of the lattice parameters. They are here interpreted in terms of electronic structure calculation by using the LMTO method and…
A detailed study of the anharmonicity-induced resonances caused by the coupling of center-of-mass and relative motion is presented for a system of two ultracold atoms in single-well potentials. As has been confirmed experimentally, these…
The energy spectrum and corresponding wave functions of two bosonic particles confined in a spherically symmetric shell trap and interacting via a three-dimensional zero-range potential are computed. Confinement-induced resonances,…
Based on the observed absorption spectral band shifts, the growth process of the semiconductor clusters was divided into two phenomenological regimes: The "molecular regime" that is associated with the band blue shift as the size of cluster…
We analyze atomic structures of plasma embedded aluminum (Al) atom and its ions in the weakly and strongly coupling regimes. The plasma screening effects in these atomic systems are accounted for using the Debye and ion sphere (IS)…
Solid-solid phase transitions in metals are traditionally driven by changes in density or external pressure. Here we show that, under strong electronic excitation, structural stability is governed by the interplay between electronic effects…
The nuclear quantum effects of hydrogen play a significant role in determining the phase stability of water ice. Hydrogen-bond symmetrization occurs as hydrogen atoms tunnel in a double-well potential, ultimately occupying the midpoint…
We develop a time-dependent theory to investigate electron dynamics and photoionization processes of diatomic molecules interacting with strong laser fields including electron-electron correlation effects. We combine the recently formulated…
We investigate the spin of the ground state of a geometrically confined many-electron system. For atoms, shell structure simplifies this problem-- the spin is prescribed by the well-known Hund's rule. In contrast, quantum dots provide a…