The IR and Raman spectra are implemented to in gate the vibrational properties for silicon carbide (SiC) by using the density functional theory (DFT) at the PBE/6–31G level and include the polarization functions basis. The vibrational spectrum frequencies were studied also for the reduce masses, force constants, vibration intensities and depolarization spectra. In the last section, a comparative account changes the size-related in certain frequencies of vibrational at SiC diamondoids with regards to the bulk in experimental. All results showed decrease the energy gap and density of states with increasing the size from diamantane to octamantane while the highest peak of bond length has register at 1.93 Å in octamantane. The tetrahedral angles of octamantane is 109° then that is much closer to the ideal value 109.2°. The high reduced mass mode (HRMM) and high force constant mode (HFCM) were larger than of the diamondoids in tetramantane were found 465.11 cm-1 and 864.40 cm-1 respectively

This study includes preparing Nano-thin films of gallium antimonide (GaSb) and study the physical properties of this films. These films are prepared by using a vacuum evaporation technique with pressure (10−6 Torr). They were deposited on glass substrates. After the preparation process, some of its optical and structural properties, such as (energy gap, optical absorption, AFM, SEM and XRD) were studied. By discussing the results, it was found that the prepared GaSb thin films have worthwhile structural and optical properties. These properties can be used in the preparation and manufacture of infrared devices, laser detectors and photoelectric applications. The distinguished obtained characteristics are of interest to a large number of researchers within the fields of semiconducting materials. The potential applications that could employ GaSb Nano-thin films in their work are infrared devices and wide range applications of detectors and photo electronics. For example, Li-Fi technology, which relies on visible light as a means of transmitting data instead of radio frequencies, in addition to it does not generate any radiation as in Wi-Fi, as it ultimately depends on visible light.

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The current study investigated the electrical properties of Cadmium Telluride (CdTe)by using the first principle of density functional theory (DFT). The nanocrystals suggested being varied constantly over the network systematically so that the lowest value for energy is obtained, through which stability is obtained and through this exceptionality, the measurements of the properties are in their exact state. The conduction and the valence bandwidths were also studied. The investigations targeted the “highest occupied molecular orbital” (HOMO) [Ionization Potential], and the “lowest unoccupied molecular orbital” (LUMO) [Electron Affinity]. Total and cohesive energies, the atomic iconicity, electron affinity, energy gap (Eg), and the density of states (DOS) for 8, 16, 54, and 64 atoms. The results showed that the shape of the conduction and valence affect the crystal groups significantly, and the energy gap exhibited very close results to their practical counterparts that were previously conducted. When the lattice constant decreases the modulus of bulk and the waves of sound speed increase with the increase of the core atoms number. Subsequently, the applied pressure increases the Plasmon energy and bulk modulus. The key of study is to inspect if using materials in their nanoscale state gives special physical, electronic and optical properties through which devices are manufactured with high efficiency in the solar cell industry. Where the compound becomes a point of a sleeve, and the fluorescent peak shifts across the visible field to the UV field. This was obtained by controlling the size of the compound in 54 and 64, at which the energy gap showed an increase, which would make it more preferred to stimulate the electron from the valence band to the conduction band.

A study using a pulsed laser deposition (PLD) technique was accomplished by growing NiTi nanoparticles on glass and stainless steel 316L substrates. The effects of laser energy state of deposition on the granule size of the NiTi nanoparticle and the structural properties of its thin film were discussed. X-ray diffraction analyses revealed that the films prepared at 65[Formula: see text]W, 75[Formula: see text]W, 85[Formula: see text]W, 100[Formula: see text]W exhibited amorphous structures. AFM results confirmed that the thin films consist of evenly distributed spherical particles. The results also showed an exponential increase in those particles’ sizes.