Electronic and Magnetic Properties of $ThCo_4B$

$ThCo_4B$ compound crystallizes in the hexagonal $CeCo_4B$ type structure. The electronic structure is calculated based on full-potential local-orbital full-relativistic method. The ab initio calculations showed that small magnetic moments (≈0.1 $μ_B$/atom) are formed on Th and B atoms, antiparallel to the moments on Co atoms equal to 1.55 and 0.43 $μ_B$/atom for Co(2c) and Co(6i), respectively. The densities of states at the Fermi level are equal to 1.3 and 5.4 states/(eV spin f.u.) for spin up and down, respectively. These values are predominated by Co(3d) electrons.