Total energy calculations by a LAPW method are carried out for paramagnetic, ferrimagneitc and antiferromagnetic states of Mn2Sb. The most stable state obtained is ferrimagnetic, which is in agreement with the observation. For the fer-rimangetic state the total energy is calculated as a function of both the lattice constants, a and c and then the linear compressibilities ka and kc, along the a- and c-axes, respectively, are evaluated. The obtained value of kc agrees quite wellwith the observed data, but the theoretical value of kais smaller by factor two than the experimental data. It is alsoshown that the rate of magnetic moment reduction by pressure is different for crystallographically inequivalent Mn sites.
ASJC Scopus subject areas
- Physics and Astronomy(all)