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First‐principles study on the creation of holes in high T c cuprates
Author(s) -
AmbroschDraxl C.,
Sherman E. Ya.,
Auer H.,
Thonhauser T.
Publication year - 2004
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200304485
Subject(s) - cuprate , redistribution (election) , superconductivity , doping , density functional theory , condensed matter physics , oxygen , copper , charge density , materials science , chemistry , physics , computational chemistry , quantum mechanics , political science , metallurgy , politics , law
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)