HTHP Home • Issue Contents • Forthcoming Papers
Linear variation of magnetic properties of cubic V3Ga compounds under pressure: an ab initio study
V.S. Sathyakumari, S. Sankar and K. Mahalakshmi
The magnetic properties of Cr3Si-type intermetallic compound V3Ga have been studied through electronic structure computations by using the spin polarized first principle tight-binding linear muffin-tin orbital method. The magnetic phase stability is determined from the total energy calculations for both the non-magnetic and magnetic phases. The compound is found to have a magnetic moment of 1.08 μB per formula unit. The magnetic property of the compound persists until the volume compression by 17%. Further, the magnetic moment is evinced to vary linearly with the lattice parameter of the compound. The magnetic property of the compound is found to be mainly due to the d-electrons of V-atoms. The present results are found to agree well with the experimental results.
Keywords: Band structure, Density of states, Magnetic moment, TBLMTO, Lattice constant, Fermi energy