Effect of hydrostatic pressure and the emergence of half metallic ferromagnetism in rhodium oxide - A DFT+U perspective

Abstract Electronic band structure calculation was carried out to investigate the half metallic ferromagnetism in RhO using GGA + U method. A Full Potential-Linearized Augmented Plane Wave (FP-LAPW) Method is employed to unravel the electronic properties of RhO. Using Generalized Gradient Approximation (GGA + U) method, the electronic properties such as density of electronic energy states(DOS) and band structure plots have been plotted. At high and low pressure the lattice constants vary and half metallic ferromagnetism with energy gap variations in the spins is observed. In GGA method, DOS and band structure plots of RhO predict metallic characteristics in both the spins, whereas in GGA + U method, half metallic ferromagnetism is predicted particularly at the Hubbard potential of U = 5 eV.