Abstract:
Magnetic and electronic proprieties of the ternary alloys Ru2CrGe have been
studied using DFT calculation in conjunction with full potential Linear Muffin-Tin Orbital FPLMTO
method. The conventional density functional theory DFT fails for materials with
strongly correlated electrons, therefore, the LDA+U method [1] was used to study the effect
of on-site correlation at the transition metal sites on the magnetic and electronic properties
of the Ru2CrGe compound. It was shown that our obtained equilibrium lattice parameter is
in good agreement with the experimental results