A CALCULATING METHOD OF MAGNETIC ENERGY FOR A CONSTRAINED MAGNETIZED STATE OF ITINERANT ELECTRONS

Abstract

A method to calculate the magnetic energy is derived for a constrained magnetized state of itinerant electrons. The method can be used to describe non-collinear magnetism of itinerant electrons. The magnetic energy for a constrained magnetized state is obtained by using functions that are derivatives of the total energy with respect to the magnetic moments. In the local spin density approximation at zero temperature, standard methods of band structure calculation can be used for the numerical calculation in the method. Non-collinear magnetism of FexNi1−x Invar alloy at zero temperature is investigated by using a simple model of alloys and LMTO method for first application of the method. Several stationary magnetized states are found for Fe0.7Ni0.3 alloy by the numerical calculation, in which there are non-collinear magnetized states.