Structural, mechanical, and magnetic properties of GaFe{sub 3}N thin films
Using the density-functional theory, the structural, mechanical, and magnetic properties were investigated for different GaFe{sub 3}N configurations: ferromagnetic, ferrimagnetic, paramagnetic, and nonmagnetic. Ferrimagnetic and high-spin ferromagnetic states exhibit the lowest energy and are the competing ground states as the total energy difference is 0.3 meV/atom only. All theoretically predicted values could be fully confirmed by experiments. For this, the authors synthesized phase pure, homogeneous, and continuous GaFe{sub 3}N films by combinatorial reactive direct current magnetron sputtering. Despite the low melting point of gallium, the authors succeeded in the growth of GaFe{sub 3}N films at a temperature of 500 °C. Those thin films exhibit a lattice parameter of 3.794 Å and an elastic modulus of 226 ± 20 GPa. Magnetic susceptibility measurements evidence a magnetic phase transitions at 8.0 ± 0.1 K. The nearly saturated magnetic moment at ±5 T is about 1.6 μB/Fe and is close to the theoretically determined magnetic moment for a ferrimagnetic ordering (1.72 μB/Fe).