Can Disorder Alone Destroy the eg′ Hole Pockets of NaxCoO2? A Wannier Function Based First-Principles Method for Disordered Systems

We investigate from first principles the proposed destruction of the controversial eg′ pockets in the Fermi surface of Na[subscript x]CoO[subscript 2] due to Na disorder, by calculating its k-dependent configuration-averaged spectral function ⟨A(k,ω)⟩. To this end, a Wannier function-based method is...

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Bibliographic Details
Main Authors: Berlijn, Tom, Volja, Dmitri, Ku, Wei
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:en_US
Published: American Physical Society 2011
Online Access:http://hdl.handle.net/1721.1/64423

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