Evaluation of magneto-optic properties of LaXPO(X = Mn, Fe, Ni) new superconductors by DFT
This article reports about the structural, electronic and magneto-optic properties of LaXPO(X = Mn, Fe, Ni) using the density functional theory (DFT) within GW, TB-mBJ, GGA and GGA + U (U = 1, 2, 3, 4 eV). The calculated ground state values such as lattice parameters, band gap, dielectric functions,...
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Main Authors: | , , |
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Format: | Article |
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Elsevier
2015
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Online Access: | http://eprints.utm.my/id/eprint/55098/ http://dx.doi.org/10.1016/j.commatsci.2015.04.030 |
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