Volume 68, Number 3, November 2004
|Page(s)||433 - 439|
|Section||Condensed matter: electronic structure, electrical, magnetic, and optical properties|
|Published online||09 October 2004|
A tight-binding investigation of the Fermi surface
Code 6391, Naval Research Laboratory - Washington, D.C. 20375, USA
Accepted: 5 August 2004
We perform an orthogonal basis tight-binding fit to an LAPW calculation of paramagnetic NaxCoO2 for several dopings. The optimal position of the apical oxygen at each doping is resolved, revealing a non-trivial dependence of the band structure and Fermi surface on oxygen height. We find that the small hole pockets are preserved throughout all investigated dopings and discuss some possible reasons for the lack of experimental evidence for these Fermi sheets.
PACS: 71.20.-b – Electron density of states and band structure of crystalline solids / 71.18.+y – Fermi surface: calculations and measurements, effective mass, g-factor
© EDP Sciences, 2004
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