Sn-119 hyperfine fields in RMn6Sn6 (R = Mg, Zr, Hf). Experimental and theoretical study

We performed both Sn-119 Mossbauer experiments and electronic structure cal culations using the Korringa-Kohn-Rostoker method on the hexagonal RMn6Sn6 (R = Mg, Zr, and Hf) compounds. According to previous neutron diffraction r esults two types of commensurate magnetic order are investigated: ferromagn etic for R = Mg and antiferromagnetic for R = Zr and Hf. From Sn-119 Mossba uer measurements, high transferred hyperfine fields on the tin nuclei are o bserved. The H-hf values are well supported by the Korringa-Kohn-Rostoker r esults. Moreover, the calculated mu(Mn) are in good agreement with the neut ron diffraction data. When observing the density of states, ZrMn6Sn6 is fou nd near semimetallic limit.