Related papers: Systematic study of confinement induced effects on…
We have investigated multifunctional periodic structures in which electromagnetic waves and spin waves can be confined in the same areas. Such simultaneous localization of both sorts of excitations can potentially enhance the interaction…
In simulations of metallic interfaces, a critical aspect of metallic behavior is missing from the some of the most widely used classical molecular dynamics force fields. We present a modification of the embedded atom method (EAM) which…
We study the interconnection between the results of two qualitatively different approximate calculations of photoionization cross sections, $\sigma_{n\ell}$, for neutral atoms ($A$) or their cations ($A^+$), centrally confined inside a…
Generalizing the classical Thomson problem to the quantum regime provides an ideal model to explore the underlying physics regarding electron correlations. In this work, we systematically investigate the combined effects of the geometry of…
We numerically study the ground state properties of endohedrally confined hydrogen (H) or helium (He) atom by a molecule of C$_{60}$. Our study is based on Diffusion Monte Carlo method. We calculate the effects of centered and small…
Spin-polarized reconstruction of the v=1 quantum Hall edge is accompanied by a spatial modulation of the charge density along the edge. We find that this is also the case for finite quantum Hall droplets: current spin density functional…
The structural properties of the ROFeM (R=La, Nd; M=As, P) materials have been analyzed by means of electron diffraction, high-resolution transmission-electron microscopy (TEM) and in-situ cooling TEM observations. The experimental results…
Systems under external confinement and constraints often show interesting properties. In this thesis, we study some systems under external confinement. We begin by finding out the probability distribution of end-to-end separation of a Worm…
Many-electron systems confined to a quasi-1D geometry by a cylindrical distribution of positive charge have been investigated by density functional computations in the unrestricted local spin density approximation. Our investigations have…
In fusion devices, the geometry of the confining magnetic field has a significant impact on the instabilities that drive turbulent heat loss. This is especially true of stellarators, where the "trapped electron mode" (TEM) is stabilised if…
This study presents a finite element and virtual element (FE-VE) coupled method for thermomechanical analysis in electronic packaging structures. The approach partitions computational domains strategically, employing FEM for regular…
The morphology of spherically confined flexoelectric fluid membrane vesicles in an external uniform electric field is studied numerically. Due to the deformations induced by the confinement, the membrane becomes polarized resulting in an…
Computer modelling of the integer quantum Hall effect based on self-consistent Hartee-Fock calculations has now reached an astonishing level of maturity. Spatially-resolved studies of the electron density at near macroscopic system sizes of…
We studied the hydrogen atom as a system of two quantum particles in different confinement conditions; a spherical-impenetrable-wall cavity and a fullerene molecule cage. The motion is referred to the center of spherical cavities, and the…
Scattering of light dark matter (LDM) particles with atomic electrons is studied in the context of effective field theory. Contact and long-range interactions between dark matter and an electron are both considered. A state-of-the-art…
Multideterminant calculations have been performed on model systems to emphasize the role of many-body effects in the general description of charge quantization experiments. We show numerically and derive analytically that a closed-shell…
Introducing a reduced particle stiffness in discrete element method (DEM) allows for bigger time steps and therefore fewer total iterations in a simulation. Although this approach works well for dry non-adhesive particles, it has been shown…
We study the effect of electron-electron interaction on the charge and spin structures at the edge of integer quantum Hall liquids, under three different kinds of confining potentials. Our exact diagonalization calculation for small systems…
Half-metallic ferromagnets (HMF) are on one of the most promising materials in the field of spintronics due to their unique band structure consisting of one spin sub-band having metallic characteristics along with another sub-band with…
We investigate the impact of the quantum effects of protons on the electronic structure of high-pressure H$_3$S, a benchmark hydrogen-rich superconductor with a critical temperature ($T_c$) exceeding 200 K. Using Nuclear-Electronic Orbital…