ELECTRONIC STRUCTURE AND MAGNETIC PROPERTIES OF TIMN3N, TIMN3 AND MNTI3 COMPOUNDS USING TB-LMTO METHOD

V. Sathana, G. Meenakshi, V. Jayalakshmi

Abstract: Tight Binding Linear Muffin Tin Orbital Method has been employed to obtain the electronic and Magnetic properties of TiMn3N and ordered TiMn3 Compounds. The Equilibrium volume has been found for each compound using self-consistent band structure calculations at several lattice parameters. Obtained results reveals that TiMn3 is ferromagnetic with 3.3624µB as magnetic moment at Mn sites and-1.2174µB at Ti sites. Hence TiMn3 attains the stable magnetic order at Ferromagnetic and Non-Magnetic calculations, while TiMn3N shows the nonmagnetic phase as a stable one during FM and NM calculations.

Keywords: Ferromagnetic, Non-Magnetic, Tight Binding Linear Muffin Tin Orbital method

DOI: https://doi.org/10.15623/ijret.2015.0401021