First‐principles study on the creation of holes in high T c cuprates

We investigate the charge redistribution in high T c cuprates as a function of pressure, composition, and doping. To this extent we have performed first‐principles calculations based on density functional theory for several representatives of the Hg based cuprates. In particular, we focus on the cre...

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Bibliographic Details
Published in:physica status solidi (b) 2004-05, Vol.241 (6), p.1199-1203
Main Authors: Ambrosch‐Draxl, C., Sherman, E. Ya, Auer, H., Thonhauser, T.
Format: Article
Language:English
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Summary:We investigate the charge redistribution in high T c cuprates as a function of pressure, composition, and doping. To this extent we have performed first‐principles calculations based on density functional theory for several representatives of the Hg based cuprates. In particular, we focus on the creation of holes in the copper‐oxygen planes. Conclusions are drawn about the similarities and differences between the three parameters influencing the superconducting transition temperature. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
ISSN:0370-1972
1521-3951
DOI:10.1002/pssb.200304485