Related papers: Size Dependence of Lattice Parameter and Electroni…
Structural, magnetic and electronic structural properties of Ni0.2Cd0.3Fe2.5-xAlxO4 ferrites nanoparticles have been studied x-ray diffraction (XRD), transmission electron microscopy (TEM), dc magnetization, and near edge x-ray absorption…
Structural (lattice parameters and sublattice occupancies) and electronic (charge-density and electric field gradient) properties in a series of compounds mu-Fe_(100-x)Mo_x were studied experimentally (X-ray diffraction and Mossbauer…
In this research, we examine the electronic, magnetic, and lattice properties of the Fe$_4$(P$_2$O$_7$)$_3$ compound using the first principles calculations based on the density functional theory. The crystal lattice has a monoclinic…
The recent emergence of quantum confined nanomaterials in the field of radiation detection, in particular lead halide perovskite nanocrystals, offers potentially revolutionary scalability and performance advantages over conventional…
Ultrathin two-dimensional nanosheets raise a rapidly increasing interest due to their unique dimensionality-dependent properties. Most of the two-dimensional materials are obtained by exfoliation of layered bulk materials or are grown on…
Nanotechnology's impact on semiconductor industry advancement, particularly through the engineering of nanostructures like nanowires, opens new possibilities for material functionality due to the tunable physical properties of…
The layered structure of tetragonal Ni(CN)2, consisting of square-planar Ni(CN)4 units linked in the a-b plane, with no true periodicity along the c-axis, is expected to show anisotropic compression on the application of pressure.…
We have investigated change in the electronic structures of atomically-controlled La$_{1-x}$Sr$_x$MnO$_3$ (LSMO) thin films as a function of hole-doping level ($x$) in terms of {\it in situ} photoemission spectroscopy (PES) and x-ray…
A new analytical expression for the size-dependent bandgap of colloidal semiconductor nanocrystals is proposed within the framework of the finite-depth square-well effective mass approximation in order to provide a quantitative description…
Silicon nanocrystals with diameters between 1 and 3 nm and surfaces passivated by chlorine or a mixture of chlorine and hydrogen were modeled using density functional theory, and their properties compared with those of fully hydrogenated…
While electronic and spectroscopic properties of self-assembled In_{1-x}Ga_{x}As/GaAs dots depend on their shape, height and alloy compositions, these characteristics are often not known accurately from experiment. This creates a difficulty…
Deep defects in silicon carbide (SiC) possess atom-like electronic, spin and optical properties, making them ideal for quantum-computing and -sensing applications. In these applications, deep defects are often placed within fabricated…
The KIDS framework for the nuclear equation of state (EoS) and energy density functional (EDF) offers the possibility to explore systematically the effect of EoS parameters on predictions for a variety of observables. The EoS parameters can…
: Understanding the correlations between magnetic nanoparticles is important for nanotechnologies, such as high-density magnetic recording and biomedical applications, where functionalized magnetic particles are used as contrast agents and…
In nanocrystalline Nb films, the superconducting Tc decreases with a reduction in the average particle size below 20nm. We correlate the decrease in Tc with a reduction in the superconducting energy gap measured by point contact…
Surfaces are at the frontier of every known solid. They provide versatile supports for functional nanostructures and mediate essential physicochemical processes. Being intimately related with 2D materials, interfaces and atomically thin…
The pressure dependence of a large number of phonon modes in CaFe2As2 with energies covering the full range of the phonon spectrum has been studied using inelastic x-ray and neutron scattering. The observed phonon frequency changes are in…
Size-property relations in plasma-modified ZnO thin films have been investigated as a function of plasma treatment duration. The correlations between crystallite sizes and the morphological characteristics of films have been extracted on…
Silicon nanoparticles possess unique size-dependent optical properties due to their strong electric and magnetic resonances in the visible range. However, their widespread application has been limited, in comparison to other (e.g. metallic)…
In this study, the Density of States (DOS) of CeO$_2$ was analyzed in detail using the Density Functional Theory (DFT) method based on VASP software. As an important functional material, CeO$_2$ finds wide applications in catalysis, optics,…