KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Materials Science and Engineering Program
Computational Physics and Materials Science (CPMS)
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AbstractA 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 ReO 3 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. © 2010 Europhysics Letters Association.
SponsorsWe gratefully acknowledge fruitful discussions with L. HEINRICH, C. DI PAOLA, and C. SCHUSTER. RF acknowledges the Region Basse-Normandie and the Ministere de la Recherche for financial support.
JournalEPL (Europhysics Letters)