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Local probing of multiferroics: First-principles study of hyperfine parameters in YMnO3and YMn2O5
2014
EPJ Web of Conferences
We model the ferroelectric and paraelectric phases in the YMnO3 and YMn2O5, compounds with discussion of the hyperfine parameters at the atomic nuclei: electric field gradient and magnetic hyperfine field, using first-principles density functional theory FP-L/APW+lo method (WIEN2K code). The differences of the changes in hyperfine properties and their correlation due to the onset of polarization in both cases reveal their sensitivity to the different electronic densities changes due to
doi:10.1051/epjconf/20147509002
fatcat:f2sz72giijebdhwcjb7m2hypze