The full-potential study of ErMg

Abstract

Abstract. The structural, electronic and magnetic properties of ErMg are investigated using the full potential linear augmented plane wave method based on density functional theory. The calculated structural parameters using LDA are in excellent agreement with the available experimental result. The calculated band structure is at 0 GPa. The valence and conduction bands are overlapped notable at the Fermi level (EF = 0 eV). Consequently, there is no energy gap. The calculated band structure shows that this alloy has metallic nature. Total magnetic moment at equilibrium lattice constant of ErMg intermetallic in B2 phase along with the magnetic moment on the atomic and interstitial sites have also been presented in this paper.