Half Metallic Ferromagnetism, Mechanical, Thermodynamic, and Thermoelectric Properties of Vacancy Ordered Double Perovskites Rb₂(V/Cr)Cl₆ for Spintronics

The spintronic is merging technology that controls the functionality of devices with a spin of electrons to fasten speed and shrink the size. Therefore, the magnetic properties and effect of mechanical, thermodynamic, and thermoelectric on Rb₂VCl₆ and Rb₂CrCl₆ have been addressed comprehensively. Heisenberg model has been implemented for Curie temperature and polarization density mechanism for spin polarization. The crystal field, exchange energies, and exchange constants are analyzed to address the role of electron spin in ferromagnetism. The integer magnetic moments (3.0 & 4.0 )µ_B for Rb₂VCl₆ and Rb₂CrCl₆ are also calculated, showing 100% spin polarization. Both mechanical and Boltzmann mechanisms reported the ultralow value of thermal conductivity. The elastic constant for cubic structures and Poisson (0.28, 0.25) and Pugh’s (1.95, 1.78) conditions for ductile and brittle nature are elaborated. The Debye temperature, melting temperature, and hardness are also important for device fabrication. Finally, the power factor and Figure of merit scale have addressed thermoelectric performance, increasing thermoelectric applications’ importance.