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This study is aimed at exploring the electronic, magnetic, andmagneto-optical properties of double perovskites Ca$_2$FeIrO$_6$ andCa$_2$CoIrO$_6$ {with monoclinic structure (space group P21/$c$) } in order toexamine their potential applications in spintronic and photovoltaic devices.The calculations were done using the full-potential linearized augmented planewave within the density functional theory. For the electronicexchange-correlation function, we used the generalized gradient approximation(GGA) and GGA+U (Hubbard potential), and spin-orbit coupling (SOC). The studyshowed that Ca$_2$FeIrO$_6$ and Ca$_2$CoIrO$_6$ exhibit a monoclinic structure(space group P21/$c$). The structure relaxation shows an antiferromagneticbehavior in both systems with a magnetic moment of about 6.00$\mu_B$ forCa$_2$FeIrO$_6$ and 4.00$\mu_B$ for Ca$_2$CoIrO$_6$ by using GGA+Uapproximation. The results of GGA and GGA+U predict the half-metallic behaviorof Ca$_2$FeIrO$_6$ and Ca$_2$CoIrO$_6$. The magneto-optical polar Kerr effect(MOKE) was examined by studying the variation of Kerr and ellipticity rotation.The Kerr rotation angle is $1.3^{\circ}$ at 4.82 eV and $-1.21^{\circ}$ at 4.3eV, and the ellipticity angle is $-1.21^{\circ}$ at 4.3 eV for Ca$_2$FeIrO$_6$.In the case of Ca$_2$CoIrO$_6$, the Kerr rotation angle is $-1.04^{\circ}$ at4.05 eV; the significant Kerr rotation in both compounds may suggest theapplication of these materials in optoelectronics bias. The named compoundshave a potential application in the field of spintronics and its devices, suchas in optoelectronics technologies.

condensed matter physics

Exploring the structural, electronic, magnetic, and magneto-optical  properties of double perovskites $\text{Ca}_2\text{TMIrO}_6$ (TM=Fe, Co)  through first principles study