Tracking mechanical properties and UV/Vis/IR shielding effectiveness of ortorhombic FeBW nanostructures

Todays, one of the biggest sources of environmental pollution is the pollution called “electrosmog” caused by electromagnetic fields (EMF) and electromagnetic radiation (EMR). This pollution, which continues to increase day by day, has reached levels that threaten human health and other living things, depending on its severity and duration of exposure. Herewith, the mechanical stability and processability promotes the prevalent usage of the material. The mechanical, electronic, optical, and thermal properties of FeBW have been theoretically investigated. All calculations are performed using density functional theory (DFT) within ab-initio framework. The computed elastic constants confirm the mechanical stability. The Poisson's ratio and Pugh's ratio indicate that FeBW is ductilte. In other words, high machinability index implies superior damage tolerance, making it suitable for industrial applications. The negative signs in Poisson ratio confirm the partial auxetic behavior along the Y-Z and Z-Y axes. Thermodynanic properties are briefly given. Furthermore, The magnetic phase evolves to ferrimagnetic (FiM) behavior when initially parallel spins having same values are assigned to iron atoms. FiM state originates from d orbitals of iron especially dx of eg. The frequency related shielding effectiveness (SE) is examined using dielectric function which is obtained from DFT calculations. Electromagnetic shielding ability of FeBW nanostructure is highlighted for [001], [010], [011], [100], [101], [110], [111] polarization directions resulting in a superior shielding performance at > 23 dB in all cases. Moreover, the best shielding performance (SE) shows up in the ultraviolet spectrum (UV). Thanks to the positive contribution of tungsten (W) to the mechanical properties of FeBW is an exciting material with superior SE performance, which can be used in a variety of applications, including those requiring high physical strength.