A5017282131- Boron and Carbon Nanomaterials Research
- Inorganic Chemistry and Materials
- Rare-earth and actinide compounds
- Metamaterials and Metasurfaces Applications
- Heusler alloys: electronic and magnetic properties
- MXene and MAX Phase Materials
- Intermetallics and Advanced Alloy Properties
University of Science and Technology Liaoning
2022-2024
The electronic structures and optical properties of tetraborides RB 4 ([Formula: see text], Tb, Dy, Er) are systematically investigated through the first-principles technique. band structure density states (DOS) show that RM has metal magnetic characteristics. DOS near Fermi is dominated by R-4f states, which responsible for moments. including refractive index, conductivity, absorptivity, reflectivity, loss function obtained based on complex dielectric functions. static constants presented....
Heusler alloys have excellent application prospects in fabricating spin electronic devices due to their remarkable properties. However, there is currently a lack of research on the surface properties and optical alloys. In this study, we calculate properties, band structure, four Ru-based alloys, Ru 2 XAl(X=Mn, Zr, Ti, Hf), using first-principle density functional method within GGA approach. The calculation indicates that (100) (111) terminations with X atoms stronger activities more stable...