On the interrelation between bulk and thin-film Fermi surfaces
KAUST, PSE Division - Thuwal 23955-6900, Kingdom of Saudi Arabia
2 Laboratoire CRISMAT, UMR CNRS-ENSICAEN (ISMRA) 6508, and IRMA, FR3095 - Caen, France, EU
Accepted: 10 December 2010
A general scheme for inferring the Fermi surface of a finite slab from ab initio electronic-structure calculations for the parent bulk system is introduced. The simple cubic ReO3 oxide is studied as an example system. We show that our scheme provides an accurate approximation of the Fermi surface even for very thin slabs.
PACS: 73.20.-r – Electron states at surfaces and interfaces
© EPLA, 2010