High-field magnetism of MnSi and ZrZn2 under high pressure

Abstract

Electronic structures of MnSi and ZrZn2 are calculated by a self-consistent linear muffin-tin orbital method within the atomic-sphere approximation. By the fixed-spin-moment calculations, the magnetic moment M is estimated as a function of magnetic field H. Fitting the calculated values of M(H) to a form of H = a1M+a3M3+a5M5+···, the coefficients a1,a3,a5,... are estimated as a function of lattice constant. By using the calculated results of these coefficients and by taking into account the effect of spin fluctuations, the possibility of a metamagnetic transition and the appearance of a susceptibility maximum for MnSi and ZrZn2 under high pressures are discussed.