The structural, ELECTRONIC AND MAGNETIC PROPERTIES of Zn1-xMnxO dilute MAGNETIC semiconductor (DMS) were studied by the full potential-linear augmented plane wave (FP-LAPW), AND for the exchange correlation potential, Generalized Gradient approximation (GGA) was used. The study was done in the framework of the density functional theory (DFT) by implementing the Wien2k code. The density of states showed spin polarization in Fermi level by substitution of Mn atom in the ZnO compound. The values of spin polarization depend on the crystallography structure of Zinc Oxide. Also, the MAGNETIC moment AND the exchange splitting energy demonstrated different values for each structure.

One of the factors that can be the link between our intentions AND actions AND their external consequences is human agency, which indicates the conscious design AND intentional execution of actions by the individual in order to influence future events.Objective AND Method: This research with a developmental approach of psychometric method AND method 1, examines the psychometric indices of the Human Factor Characteristics Scale using the classical theory of test score measurement AND the graduated question-answer theory. The purpose of this study, which included high school students in Tehran, was selected by cluster sampling of 500 people as a sample size AND statistical analysis was performed on 481 data. To collect the data, the ion Human Agent Characteristics Scale (2011) was used AND the research questions were evaluated using IRTPRO AND SPSS software.Results:The assumption of local independence based on Pearson x2 index was established by applying Simjima's calibrated question-answer theory AND the assumption of being one-dimensional based on the analysis of multidimensional question-answer theory. Diagnosis parameters with question-answer approach AND classical approach Test score Both item 25 approach had the lowest AND item 2 had the highest diagnosis parameter. The answer thresholds for all the questions were so far apart that no option was covered by the other option, AND the options were independently selected by individuals at intervals of theta. The total scale was calculated with Cronbach's alpha of 0.945, intentionality of 0.894, foresight of 0.780, self-reactivity of 0.871 AND rethinking of 0.762. Also, the role of each item in internal consistency was investigated by the loop method, which all questions had a favorable role in internal consistency of this scale. The value of the validity coefficient obtained from the question-answer theory was obtained by marginal method for intentionality 0.92, forethought 0.85, self-reaction 0.91, rethinking 0.83..

The structural, ELECTRONIC AND MAGNETIC PROPERTIES of the novel Mn2NbAl1-xSix (x=0.0–1.0) alloys were investigated by using the density functional theory. The formation AND cohesive energy results confirm that all members of these series are thermodynamically stable, but the Hg2CuTi-type structure has lower stability compared to the Cu2MnAl-type structure. The results also reveal that with increment of Si content, the lattice constant decreases linearly from 6.01 to 5.88 Å, while the bulk modulus increases. The total spin MAGNETIC moment decreases from 2.00 µB (for x = 0.0) to 0.99 µB (for x = 1.0). The results of ELECTRONIC structure show that the alloys with x = 0.0, 0.25 AND x = 0.50 have a half-metallic nature with a real gap in the down-spin bAND, AND 100% spin polarization. For other alloys, the spin polarization decreased with increasing x from 0.75 to 1.0. Although 100% spin polarization was not found for all members of these series, it is quite high value which can be used in industries.

In this paper, we investigate triple PROPERTIES of monolayer pentagon graphene that include ELECTRONIC, MAGNETIC AND optical PROPERTIES. Our research based on density functional theory (DFT) AND the WIEN2k computational code is done. Our results show that in the ELECTRONIC AND MAGNETIC PROPERTIES, this structure with a direct gap energy of about 2. 2 eV along Г → Г direction AND total MAGNETIC moment of 0. 0013 μ B per unit cell is almost a non-MAGNETIC semiconductor. Also, in the optical PROPERTIES, the variation of optical parameters including dielectric constant, loss energy function AND reflectivity in term of energy are drawn AND studied. Its optical PROPERTIES show that if this allotrope is used in solar cell technology, its efficiency in the low energy will be better because its loss energy function AND reflectivity will be minimum.

Stanene, a two-dimensional nanostructure of Sn atoms, has a honeycomb structure. The strong intrinsic spin-orbit interaction of stanene causes an energy gap 0. 07 eV in its bAND structure. In this research, the ELECTRONIC PROPERTIES of the stanene nanoribbons with the zigzag edges are investigated by the tight binding model AND the Green’ s function method AND in the presence of electric AND MAGNETIC fields. In the presence of a vertical electric field, we observe metal-semimetal AND semimetal-semiconductor phase transitions in the system. In the presence of a transverse electric field AND or MAGNETIC field, we will have spin bAND splitting. Our results show that by tuning the magnitude AND direction of the electric AND MAGNETIC fields, we can control the electrical, spin AND optical PROPERTIES of the system.

In the present work, by using the first-princilpes calculations within the density functional theory framework, the structural, ELECTRONIC AND MAGNETIC PROPERTIES of AlCu2Mn AND CuHg2Ti crystal structures of the full-Heusler compound Co2TaGa were studied. The results indicate that the ground state of this compound is AlCu2Mn-Type with ferroMAGNETIC order AND a MAGNETIC moment of 2. 00μ, B. The results of ELECTRONIC structure calculations show that the ground state has a half-metallic nature with an energy gap of 0. 48eV AND 100% spin polarization. According to the results of this study, the Co2TaGa Heusler compound can be recommended as a novel material for future aims in spintronic applications.

On the basis of density functional theory the ELECTRONIC, MAGNETIC AND optical PROPERTIES of the Cr2ScSb full-Heusler compound have been investigated. This compound has half-metallic gap of 0. 07 eV at equilibrium lattice constant, but there is no bAND gap in the bAND structure. Cr2ScSb is stable in ferromagnet state. The total MAGNETIC moment of Cr2ScSb is 4 μ, ! AND follows the Slater-Pauling rule. The results of the investigation of optical PROPERTIES shows that this compound is a good choice for use as an electroMAGNETIC waves absorbent.

Using the path integral Monte Carlo method, in this paper, we have calculated energies of a parabolic quantum dot (PQD) under various conditions AND the corresponding electron densities. We have studied the effects of parameters such as temperature, number of confined electrons in the PQD, AND electron-electron interactions on the PQD's ground state, from which we have described the formation of the Wigner molecule. Moreover, we have investigated the effect of MAGNETIC field on the variations in separation between various energy levels in the PQD.