LOCAL DENSITY OF STATES FOR TRANSITION-METAL INTERFACES

We have calculated the interface local density of states (LDOS) for the three transition metals V, Nb, and Ta, using a tight-binding Slater-Koster description and the Green s-function-matching method, together with quickly converging algorithms, to compute the transfer matrices. We obtain the surface LDOS as a byproduct. The calculation turns out to be an almost trivial computational problem. The method proves to be a very useful tool to analyze experimental results and to check models as a function of the value of the tight-binding parameters either of the bulk or at the interface itself or as a function of different geometrical situations. It is also a solid basis on which other problems depending on a proper description of the local density of states can be worked out. We analyze in detail the Nb/Ta, Nb/V, and Ta/V interfaces in the [100] direction. We find that some of the properties found in surfaces could also be found at interfaces. In particular, we find that the V side of some interfaces could show magnetism on the atomic layer in contact with the foreign medium as the (100) surface does for this metal. © 1990 The American Physical Society.