| Autor: |
Mehmood S; Department of Physics, Center for Computational Materials Science, University of Malakand, Chakdara, Dir (Lower) 18800, Pakistan., Ali Z; Department of Physics, Center for Computational Materials Science, University of Malakand, Chakdara, Dir (Lower) 18800, Pakistan., Khan SR; Department of Physics, Center for Computational Materials Science, University of Malakand, Chakdara, Dir (Lower) 18800, Pakistan., Aman S; Institute of Physics, KhwajaFareed University of Engineering and Information Technology, Abu Dhabi Road, Rahim Yar Khan 64200, Pakistan., Elnaggar AY; Department of Food Science and Nutrition, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia., Ibrahim MM; Department of Chemistry, College of Science, Taif University, P.O. Box 11099, Taif 21944, Saudi Arabia., Zubar TI; Laboratory of Magnetic Films Physics, Scientific-Practical Materials Research Centre of National Academy of Sciences of Belarus, 220072 Minsk, Belarus.; Laboratory of Single Crystal Growth, South Ural State University, 454080 Chelyabinsk, Russia., Tishkevich DI; Laboratory of Magnetic Films Physics, Scientific-Practical Materials Research Centre of National Academy of Sciences of Belarus, 220072 Minsk, Belarus.; Laboratory of Single Crystal Growth, South Ural State University, 454080 Chelyabinsk, Russia., Trukhanov SV; Laboratory of Magnetic Films Physics, Scientific-Practical Materials Research Centre of National Academy of Sciences of Belarus, 220072 Minsk, Belarus.; Smart Sensors Laboratory, Department of Electronic Materials Technology, National University of Science and Technology MISiS, 119049 Moscow, Russia., Trukhanov AV; Laboratory of Magnetic Films Physics, Scientific-Practical Materials Research Centre of National Academy of Sciences of Belarus, 220072 Minsk, Belarus.; Smart Sensors Laboratory, Department of Electronic Materials Technology, National University of Science and Technology MISiS, 119049 Moscow, Russia. |
| Abstrakt: |
The structural, electrical, and magneto-elastic properties of lanthanide base nitride (Ln = Dy-Lu) anti-perovskites were investigated using density functional theory (DFT). The reported structural outcomes are consistent with the experiment and decrease from Dy to Lu due to the decrease ofatomic radii of Ln atoms. According to the electronic band profile, the metallic characteristics of these compounds are due to the crossing over of Ln-f states at the Fermi level and are also supported by electrical resistivity. The resistivity of these compounds at room temperature demonstrates that they are good conductors. Their mechanical stability, anisotropic, load-bearing, and malleable nature are demonstrated by their elastic properties. Due to their metallic and load-bearing nature, in addition to their ductility, these materials are suitable as active biomaterials, especially when significant acting loads are anticipated, such as those experienced by such heavily loaded implants as hip and knee endo-prostheses, plates, screws, nails, dental implants, etc. In thesecases, appropriate bending fatigue strength is required in structural materials for skeletal reconstruction. Magnetic properties show that all compounds are G-type anti-ferromagnetic, with the Neel temperatures ranging from 24 to 48 K, except Lu 3 Nin, which is non-magnetic. Due to their anti-ferromagnetic structure, magnetic probes cannot read data contained in anti-ferromagnetic moments, therefore, data will be unchanged by disrupted magnetic field. As a result, these compounds can be the best candidates for magnetic cloaking devices. |
