PRESSURE EFFECTS ON ELECTRONIC-STRUCTURE AND MAGENTISM OF CU2SB-TYPE COMPOUND MN2SB

Total energy calculations by a LAPW method are carried out for paramag netic, ferrimagneitc and antiferromagnetic states of Mn2Sb. The most s table state obtained is ferrimagnetic, which is in agreement with the observation. For the ferrimangetic state the total energy is calculate d as a function of both the lattice constants, a and c and then the li near compressibilities k(a) and k(c), along the a- and c-axes, respect ively, are evaluated. The obtained value of k(c) agrees quite well wit h the observed data, but the theoretical value of k(a) is smaller by f actor two than the experimental data. It is also shown that the rate o f magnetic moment reduction by pressure is different for crystallograp hically inequivalent Mn sites.