Effect of (0001) Strain on the Electronic and Magnetic Properties of the Half-Metallic Ferromagnet Fe₂Si

Table 1

Magnetic moments of all of the atoms in the Fe₂Si unit cell under various strains.

Species	Ion	−12%; Spin (μB)	−7%; Spin (μB)	0%; Spin (μB)	5%; Spin (μB)	9%; Spin (μB)	12%; Spin (μB)
Si	1	−0.34	−0.09	−0.06	−0.09	−0.09	−0.09
Si	2	−0.34	−0.09	−0.06	−0.09	−0.09	−0.09
Fe	1	2.81	2.83	2.80	2.81	2.75	2.69
Fe	2	2.58	0.06	−0.62	0.07	0.23	0.40
Fe	3	2.29	0.65	0.74	0.65	0.60	2.57
Fe	4	2.29	0.65	0.74	0.65	0.60	2.57