Tuning the magnetoelastic transition in (Mn,Fe)2(P,Si) by B, C, and N doping

The critical temperature and first-order character of the magnetoelastic transition in (Mn,Fe)2(P,Si) are tunable by doping the structure with B, C and N atoms. Neutron diffraction experiments reveal that B substitutes Si on the 1b site of the hexagonal P-62m structure, C occupies the interstitial 6j and 6k sites, while N distributes on both the 1b and interstitial 6j and 6k sites. The tuning mechanism has been discussed in terms of the subtle variations in electronic configuration around the Fe atoms, which can be used to tailor the magnetoelastic transition. [Display omitted]