The influence of contraction in the first interplane distance on the surface states of Ta(001)

We analyze the influence that the recently found Ta(001) first interatomic layer contraction has on the surface electronic structure. We find that the states near the Fermi energy at the F point on the 2D First Brillouin zone found in recent experiments are directly related to this contraction. In general, our calculation shows a better agreement with experiment than previous work. The remaining small differences might be attributable to a possible smaller but non-negligible contraction of the second interatomic layer distance. MIRAMARE TRIESTE August 1991 * A preliminary version of this paper has been presented at the SLAFES—6, Cusco, Peru, 3-8 Septemberl990. ** Supported by CONACyT. Permanent address: Centro de Investigacion y Estudios Avanzados del I.P.N., CINVESTAV, Apdo. Postal 14-740, Mexico 07000, D.F.