  In search of the ferromagnetic insulators for spintronic device applications,
we have studied the electronic, optical, and magnetic properties
ofLa2CrNiO6(LCNO) using the first principle density functional theory (DFT)and
monte carlo simulation technique. Firstly, we have adopted the sol-gel method
for preparation of LCNO and refined the X-ray diffracted value using the
fullprof suite under the Rietveld mechanism. The obtained orthorhombic Pbnm and
cubic Fm-3m space groups are used as the input of the DFT calculations. Both
the structures have shown the half metallicity and insult-ing bandgap towards
the majority and minority spin direction respectively. From the magnetic moment
calculations, we have seen the low spin state ofNi3+and the double exchange
(DE) interaction is responsible for the ferro-magneticity of LCNO. The optical
dielectric constant is 10 and the refractive index is 3.2 for orthorhombic
structure. The transition temperature (TC) is determined to 110 K from MCS
study, which has well agreed with experimental value (111 K). The RCP value is
determined to 12 J/Kg with a 5 tesla applied field, which is good for
magnetocaloric applications.
