The impact of cation distribution on electronic structure and magnetic properties is investigated by the first-principle calculation. The structure optimization is based on generalized gradient approximation GGA exchange-correlation and projector augmented wave method. The optimized structures of inverse and normal copper ferrite are tetragonal c /a=1.06 and cubic, respectively. The optimized s...

Modified group projector technique for induced representations is a powerful tool for calculation and symmetry quantum numbers assignation of a tight binding Hamiltonian energy bands of crystals. Namely, the induced type structure of such a Hamiltonian enables efficient application of the procedure: only the interior representations of the orbit stabilizers are to be considered. Then the genera...

We theoretically investigate the mechanism of tautomerism in the gas-phase acetylacetone molecule. The minimum energy path between the enolone and diketo forms has been computed using the Nudged-Elastic Band (NEB) method within the density-functional theory (DFT) using the projector augmented-wave method and generalized gradient approximation in Perdew-Wang (PW91) parametrization. The lowest tr...

An ab initio pseudopotential method based on density functional theory, generalized gradient corrections to exchange and correlation, and projector-augmented waves is used to investigate structural, energetical, electronic and optical properties of MgO, ZnO, and CdO in rocksalt, cesium chloride, zinc blende, and wurtzite structure. In the case of MgO we also examine the nickel arsenide structur...

The ratio of a generalized stacking-fault (GSF) energy and a free surface energy is an important parameter to describe the brittle versus ductile behavior of materials [1]. However, GSF energy values calculated with different empirical potentials are scattered over a wide range, depending on the selected poentials [2,3]. In this study, we calculated the GSF energies of Fe and Mo, by using quant...

Sampling modulation transfer function (MTF) as defined in Park et al. [Appl. Opt. 23, 2527-2582 (1984)] as an x and y sampling can be generalized for image data not along x and y directions. For a given sampling lattice (such as in a laser printer, a scene projector, or a focal-plane array), we construct a two-dimensional sampling MTF based on the distance between nearest samples in each direct...

An ab initio pseudopotential method based on density functional theory, generalized gradient corrections to exchange and correlation, and projector-augmented waves is used to investigate structural, energetical, electronic, and optical properties of MgO, ZnO, and CdO in rocksalt, cesium chloride, zinc blende, and wurtzite structure. In the case of MgO we also examine the nickel arsenide structu...

It is well known that the properties of micro LED display have higher contrast ratio, brightness, high reliability, and much faster response time than conventional LCD OLED displays. We demonstrate a prove concept (POC) pico-projector prototype with F/0.9 camera lens, green panel, digital driving board. The lumen output from POC only about 1 Lumen. calculate if larger size plus lens array, thre...

It is well known that the homogeneous differentiator strategies reduce chattering in implementation of sliding-mode algorithms and recent implicit framework based projector provides very interesting properties when associated with design. In this article, it proposed to evaluate different differentiators on Euler explicit promising semi-implicit strategies, for which discrete implementations ha...

Emerging phone handsets include embedded projectors that will provide a widespread new form of display for mobile users. However, it is not clear how the handheld projector will be used alongside the existing phone screen. The current approach of many manufacturers is to place the projector in the top of the phone. This typically prevents users from simultaneously interacting with the phone and...