Theoretical study of iron films on tungsten

The growth of iron films on tungsten (100) and [110] surfaces and the resulting magnetic properties are investigated by means of exhaustive first-principles calculations. It is found that as the thickness of the film increases, the magnetic state of Fe films on W(100) surface changes from antiferromagnetic (1 monolayer) to ferromagnetic (2 monolayer), while that of Fe/W(110) films stays ferromagnetic irrespective of the films thickness. The stable adsorption site of Fe adatom on Fe/W overlayer is also investigated to get an insight on the early stages of the film growth.