Magnetic properties of transition metal atoms doped in silicon nanotubes with hexagonal prism structure

Magnetic properties of doped magnetic transition metals in the infinite Si nanotubes with hexagonal prism structure (Si₁₂M_n, M=Fe, Co Ni, n= 1, 2) for two different number of dopants were investigated using the localized basis calculational method. Equilibrium stacking distance was determined for undoped sample by calculating the total energy as a function of distance. Number of electrons for each spin, sum of electrons, amount of charge transfer and magnetic moments were also obtained and summarized for the doped samples.