Theoretical Investigations of Structural Phase Transitions and Magnetic, Electronic and Thermal Properties of DyNi: Under High Pressures and Temperatures

Table 4

Magnetic moments of interstitial region, atoms Dy and Ni, total magnetic moment (𝑀_𝑀), and total 𝑀_𝑀/formula unit (𝑀_𝑀/fu) for FeB, CrB, CsCl, and NaCl phases of DyNi.

Sites	Magnetic moment (𝜇B)
	FeB	CrB	CsCl	NaCl
Interstitial	0.30168	0.18221	0.05911	−0.01504
Atom Dy	4.63309	4.60257	4.66920	4.71424
Atom Ni	0.01003	0.02365	0.06351	0.16738
Total 𝑀𝑀	18.87416	9.34005	4.79181	4.86658
Total 𝑀𝑀/fu	4.71854	4.67002	4.79181	4.86658