Influence of correlation effects on the magneto-optical properties of the half-metallic ferromagnet NiMnSb

Abstract

The magneto-optical spectra of NiMnSb were calculated in the framework of the Local Spin Density Approximation (LSDA) combined with Dynamical Mean-Field Theory (DMFT). Comparing with results based on plain LSDA, an additional account of many-body correlations via DMFT results in a noticably improved agreement of the theoretical Kerr-rotation and ellipticity spectra with corresponding experimental data.

Theory of relativistic photoemission for correlated magnetic alloys:LSDA+DMFTstudy of the electronic structure ofNixPdBraun1, Minář2, Matthes3 et al. 2010Phys. Rev. BSelf Cite361290View full textAdd to dashboardCite

“…The double counting problem ͑separation of the Hubbard Hamiltonian from the LSDA one͒ was considered within the usual around mean-field ͑AMF͒ limit. This scheme was successfully used before in describing magneto-optics, 50 photoemission, [51][52][53] and orbital magnetic moments 42 in 3d transition metals.…”

Test of band structure calculations for Heusler compounds by spin-resolved photoemission spectroscopy

“…Some of these studies indicate that local electron correlations in Heusler compounds are often significant for the correct description of different properties. [5][6][7][8] Experimental evidence for the validity of the calculations for Heusler compounds is scarce. The high reactivity of the materials makes photoemission spectroscopy (PES), the most powerful method for direct investigations of the electronic band structure of solids, challenging.…”

Electronic structure and magnetic properties of metallocene multiple-decker sandwich nanowires

“…44 In our calculations we used values of U in the range of 2-4 eV and J in the range of 0.6-1.2 eV as they are the usual parameters for transition-metal elements. [45][46][47] Similar values were used to include correlation effects within mean-field GGA + U calculations 48,49 in multiple-decker-type compounds. Note that corrections for a double counting of the interaction within the manifold of orbitals considered only produces an irrelevant constant shift of the chemical potential 50,51 as we are considering a model Hamiltonian with fixed number of electrons.…”