Structural, electronic, and magnetic properties ofthin V =Cu film

AbstractWe studied the electronic and magnetic properties of the surface and interface of V=Cu alloys by means ofthe abinitio full-potential linear muffin-tin orbital (FP-LMTO) method. One monolayer (ML) V adsorbed on the Cuð100Þand Cuð111Þ substrates is non-magnetic in contrast to the V MLs on Ag and Fe, which are magnetic. And also, the VML embedded in bulk Cu are non-magnetic. In the 1-ML V sandwich ofCu=Vð111Þ=Cu, although there is the veryweak 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 of1-ML Vð100Þ embedded in bulk Ni, either. In summary, our result for the1–3 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-resolvedultraviolet photoemission spectroscopy (ARUPS). r 2001 Elsevier Science B.V. All rights reserved. Keywords: Electronic structure and magnetism; Thin film; Sandwich