First-principles study on the creation of holes in high Tc cuprates
Abstract
We investigate the charge redistribution in high Tc 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.
- Publication:
-
Physica Status Solidi B Basic Research
- Pub Date:
- May 2004
- DOI:
- 10.1002/pssb.200304485
- Bibcode:
- 2004PSSBR.241.1199A
- Keywords:
-
- 71.15.Mb;74.25.Jb;74.72.Jt;74.81.-g;
- 71.15.Mb;
- 74.25.Jb;
- 74.72.Jt;
- 74.81.-g