Spin And Orbital Magnetism In 3d Transition Metal Nanowires (Mn, Fe, And Co): A Density Functional Theory Study

In this work we study the electronic structure and magnetic properties of 3d transition metal nanowires (Mn, Fe, and Co). We have performed density functional calculations using the relativistic version of the full potential local orbital (FPLO) basis band structure method and optimized the equilibrium lattice parameters using LSDA total energy calculations. Relativistic LSDA produces orbital moments induced from spin polarization via spin-orbit coupling. It is found that the orbital moments of individual 3d atoms in low dimensional nanowires are very large compare to their bulk phases.