Structural, electronic, and magnetic properties of thin V/Cu film

We studied the electronic and magnetic properties of the surface and interface of V/Cu alloys by means of the ab initio full-potential linear muffin-tin orbital (FP-LMTO) method. One monolayer (ML) V adsorbed on the Cu(1 0 0) and Cu(I 1 1) substrates is non-magnetic in contrast to the V MLs on Ag and Fe, which are magnetic. And also, the V ML embedded in bulk Cu are non-magnetic. In the 1-ML V sandwich of Cu/V(1 1 1)/Cu, although there is the very weak spin-polarization in the ferrimagnetic phase, the energy of the magnetic band-splitting turned out to be very low. We did not find the magnetic order of 1-ML V(1 0 0) embedded in bulk Ni, either. In summary, our result for the 1-3 ML V embedded in bulk Cu provided no evidence for long-range magnetic ordering, either in-plane or out-of-plane. Our thin film calculations are compared with other theoretical results and with data measured by angle-resolved ultraviolet photoemission spectroscopy (ARUPS). (C) 2001 Elsevier Science B.V. All rights reserved.