Calculated magnetic structure of mobile defects in Fe

Mobile defects such as dislocations and crowdions respond to gradients of strain, temperature, concentration, and applied field, thereby, determining a material's viability in particular applications. In Fe, defects affect the magnetic state of the surrounding atoms. We discuss the defect-induced changes in magnetic moment magnitude and orientation, magnetic anisotropy and magnetic interactions. These quantities are calculated (density functional theory (DFT)) for defect models ranging in size from a few hundred to a few thousand. Comparisons are made between different DFT methods. The importance of magnetism to the response of defects to gradients is discussed.