| Abstract: | The Heisenberg model cannot uncritically be applied to itinerant-electron magnets, including those that show noncollinear order. Density functional theory is, therefore, generalized to apply to noncollinear itinerant-electron magnets. The appropriate Kohn-Sham equations are discussed and the total energy of Spiral Magnetic Order (SMO) is found to describe the ground states of those magnets that possess a high-moment to low-moment transition such as, e.g., INVAR. Concerning excited-states properties, the energy spectrum of transverse and longitudinal spin fluctuations can be estimated with the total energy of SMO and allows a determination of thermal properties of itinerant-electron magnets. As an example calculated results for bcc-Fe are discussed in detail and compared with experimental results. Furthermore, results for Co, Ni and FeCo are collected. This revised version was published online in July 2006 with corrections to the Cover Date. |
