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Berlin 2012 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 27: Superconductivity: Cuprate Superconductors

TT 27.6: Talk

Wednesday, March 28, 2012, 12:45–13:00, H 2053

Electronic structure of Bi2Sr2CaCu2O8 by DFT and QMC — •Aliakbar Ghafari1, Kaveh Haghighi mood2, Christoph Janowitz1, and Recardo Manzke11Institute of Physics, Humboldt University of Berlin, Newtonstr. 15, D-12489 Berlin, Germany — 2Dep. of Physics, Science and Research Branch (IAU), Tehran, Iran

The electronic structure of high-TC cuprates superconductors (HTCS) is among the most interesting issues of condensed matter physics since their discovery by Bednorz and Müller. It has been proven that the antiferromagnetic ground state of the parent compound of the HTCS is not accessible by using local density approximation (LDA) and generalized gradient approximation (GGA) as exchange-correlation energy functionals within density functional theory (DFT). Therefore, we calculated the electronic structure of Bi2Sr2CaCu2O8 by adding the Hubbard parameter to DFT (GGA+U) and quantum Monte Carlo (QMC) methods. The calculations have been performed by Wien2k and Casino codes for GGA+U and QMC, respectively.

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