Abstract
The structural, electronic and magnetic properties of HoMg are investigated. Different exchange-correlation functional were used for structural optimization, but LDA scheme shows the excellent result. The calculated values of lattice constants in B1 and B2 phases are 6.21(Å) and 3.74 (Å), respectively. The present calculation shows that the ground state configuration of HoMg lies in B2 phase. The calculated band structure shows that HoMg has metallic nature. In magnetic properties, the magnetic moment of HoMg in B2 phase is also presented. Magnetic moments (M and m) decrease with the increase in lattice parameter. 4f electrons of Ho atom show the main contribution in magnetic moment.
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