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- W2987001070 abstract "This is an investigation of the atomic structure, opto-electronic and magnetic properties of SrAO3 (A = Cr, Fe and Co) compounds using first principles method. The ferromagnetic behavior is found the most stable phase for SAO. The calculated Goldschmidt's tolerance factor values predict that the studied compounds have a stable structure. Moreover, the calculated formation energy shows that SrAO3compounds are thermodynamically stable. The calculated density of states shows that the present compounds are metal and the direction of the magnetic moments of SrCrO3 is anti parallel to its spin. The charge density contours display a mixture of the covalent and ionic bonds between the content atoms of SrAO3 compounds. The optical parameters are calculated using the dielectric function real and imaginary parts. From the electronic and optical properties results, beneficial industrial applications can be expected for the present compounds." @default.
- W2987001070 created "2019-11-22" @default.
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- W2987001070 date "2020-02-01" @default.
- W2987001070 modified "2023-09-30" @default.
- W2987001070 title "Enlightening the stable ferromagnetic phase of SrAO3(A= Cr, Fe and Co) compounds using spin polarized quantum mechanical approach" @default.
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- W2987001070 doi "https://doi.org/10.1016/j.cjph.2019.10.018" @default.
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