Thermoelectric Properties of Mg doped Mercury Selenide HgSe

Using the density functional theory (DFT) in combination with Boltzmann transport theory, the influence of Mg concentrations (x) doping on the thermoelectric properties of Hg1-xMgxSe ternary alloys was systematically investigated. The generalized gradient approximations of Perdew-Burke-Ernzerhof (GGA-PBE) have been used to illustrate the exchange correlation potential. Various thermoelectric transport parameters, such as the Seebeck coefficient (S), the thermal conductivity over relaxation time, the electrical conductivity over relaxation time, the power factor (PF) and the figure of merit (ZT) have been deduced and discussed. The obtained results of thermoelectric properties show that the studied materials can be useful for room temperature thermoelectric devices. It is also found that Mg compositions can increase the thermal efficiency of the HgSe alloy

The Ferromagnetic and half metallic behaviors of Fe- and Co- doped SnO2 within Local Density Approximation and Self-Interaction-Corrected

Using ab-initio calculation based on the Korringa-Kohn-Rostoker Coherent Potential Approximation (KKR-CPA) method in connection with the local density approximation without and within self-interaction-corrected (LDA and LDA-SIC), we represent a theoretical study of the SnO2 doped system with transition metals (TM) which are Iron (Fe) and Cobalt (Co). In this system, the stability of the ferromagnetic state compared with the spin-glass state is investigated by comparing their total energies. The Ferromagnetic and half metallic behaviors was observed and conformed with the local-moment-disordered (LMD) state energy for LDA (local density approximation) and LDA-SIC (local density approximation-self-interaction correction) approximation in [Sn0.95TM0.05(Fe or Co)]O2 . Based on mean field method, the Curie temperature is estimated. To explain the origin of magnetic behavior, we give information about total and atom projected density of states functions of Fe and Co elements and we propose a model which describes magnetic interaction in [Sn0.95TM0.05(Fe or Co)]O2

Ground State Study of a Double Core-Shell Dendrimer Nanostructure

Based on a dendrimer graph theory, we investigate the ground state phase diagrams of a nanostructure formed by three spin types

Performance of 3

Developments in neutron detection technology during the recent past years have experienced an emphasis in their application in various fields. The performance test of one linear position sensitive 3He detector coupled with a position decoder and multi-channel analyzer (MCA) was recorded. This system is used as the neutron powder diffractometer of CENM-Maamora. The wall effect and saturation of gas multiplication have been studied