Abstract
Different physical features of UT2Si2 (T = Ru, Rh, Pd) are investigated using ab initio methods. The examined lattice parameters are closely aligned with the experimental data. The negative cohesive energy ensures the chemical stability of the UT2Si2 (T = Ru, Rh, Pd). The mechanical stability of UT2Si2 (T = Ru, Rh, Pd) is ensured from the positive elastic constants. Very large bulk and Young's moduli of URu2Si2, and URh2Si2 ensures their high resistance to volume and longitudinal deformation. Whereas the lower Young's modulus (E) for UPd2Si2 suggests its heightened capacity to resist thermal shock resistance. The high machinable index of UPd2Si2 compared to URu2Si2 and URh2Si2 confirm its more damage‐tolerant and high elastic behavior and probable industrial applications. All the phases exhibit elastic anisotropy and ductile nature. Metallic features as well as mixture of covalent and ionic bonding are observed from electronic properties. Furthermore, the investigation on optical properties suggests the potential use of UT2Si2 (T = Ru, Rh, Pd) in anti‐reflection coatings, UV detectors, and optoelectronic devices due to their notable peaks in the UV energy range. The thermodynamic parameters such as Debye temperature as well as minimum thermal conductivity indicate the potential utility of these compounds in thermal barrier coating materials.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
