Effect of oxygen on the magnetic coupling of a Mn thin film on Fe(001) substrate

Ultrathin antiferromagnetic films on a ferromagnetic substrate: a first-principles study of Mn on Fe(001)

“…This finding was in general supported by Asada et al but a p(2 × 2) reconstruction with FM order within the Mn film showed a slightly lower total energy [10]. A c(2 × 2) ground state was also found by Zenia et al, which upon oxygen coverage is turned into an AFM p(1 × 1) structure [11]. Considering bulk and multilayer systems, Stoeffler and Gautier reported on both FM and AFM configurations for the Fe-Mn interface [12], the former being energetically more stable.…”

“…(Focusing on thicker Mn films, note that these and the following results were obtained for (1 × 1) unit cells [30]. Hence, the calculations reported in the present paper are not supposed to reproduce the (2 × 2) ground-state reconstructions observed in other investigations for Mn monolayers [9][10][11].) For thicker films, we found also other magnetic phases which are worth investigating in a future publication (see also [30]).…”

MAGNETIC PROPERTIES OF Fe DEPOSITED ON W(110) SURFACE: EFFECTS OF O CONTAMINATION AND O2 ADSORPTION

“…19 To investigate this point we have also performed an ab initio study of structural and magnetic properties of Fe/O/W(110) system. Moreover, it has been experimentally shown by Homann et al 20 that the growth of Fe layers on W(110) enhances strongly the adsorption and dissociation of N 2 as compared with the otherwise fairly unreactive Fe(110) surface.…”

Density-functional study of oxidation at the Mn–Co interface

“…It is interesting to note that oxidation of Mn overlayer on Fe(0 0 1) induces also AF coupling [13] and recent ab initio pseudopotential study [14] offers model of this phenomenon. However, the analogy between the Mn/Co and Mn/Fe systems can be superficial.…”