T. Asada et al., FIRST PRINCIPLES CALCULATION OF C A FOR FIRST KIND ANTIFERROMAGNETS/, Journal of magnetism and magnetic materials, 158, 1996, pp. 343-344
The equilibrium c/a of collinear fee first kind antiferromagnets was c
alculated by the FLAPW method combined with the local density approxim
ation to the density functional formalism. It changes its value from l
ess than, to more than, unity between Mn (0.95) and Fe (1.07). The mec
hanism is discussed in terms of the Alexander-Anderson model.