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Mn-based full Heusler compounds possess well-defined local atomic Mn moments,and thus the correlation effects between localized d electrons are expected toplay an important role in determining the electronic and magnetic properties ofthese materials. Employing ab-initio calculations in conjunction with theconstrained random-phase approximation (cRPA) method, we calculate the strengthof the effective on-site Coulomb interaction parameters (Hubbard U and Hundexchange J) in the case of X2MnZ full Heusler compounds with X being one of Ni,Pd or Cu, and Z being one of In, Sn, Sb or Te. We show that the Z element (orsp element) in Heusler compounds significantly reduces the strength of theHubbard U parameter for Mn 3d electrons compared to the elementary bulk Mn. Onthe contrary, the effect of the sp-atom on the strength of the U parameter ofNi, Cu or Pd valence d electrons is not so substantial with respect to theelementary bulk values. The U values for all transition metal atoms decreasewith increasing sp electron number in the In-Sn-Sb-Te sequence. Our cRPAcalculations reveal that despite their well-defined local magnetic moments, theMn-based full Heusler alloys fall into the category of the weakly correlatedmaterials.

Ab-initio calculation of the Hubbard $U$ and Hund exchange $J$ in local moment magnets: The case of Mn-based full Heusler compounds