Phase driven magnetic and optoelectronic properties of La2CrNiO6: A DFT and Monte Carlo perspective

@article{Bhowmik2021PhaseDM,
  title={Phase driven magnetic and optoelectronic properties of La2CrNiO6: A DFT and Monte Carlo perspective},
  author={Tushar Kanti Bhowmik and Tripurari Prasad Sinha},
  journal={Journal of Solid State Chemistry},
  year={2021}
}
In search of the ferromagnetic insulators for spintronic device applications, we have studied the electronic, optical and magnetic properties of La2CrNiO6 (LCNO) using the first principle density functional theory (DFT) and the Monte Carlo simulation technique. Firstly, we have adopted the sol-gel method for the 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… Expand
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