期刊
SCIENTIFIC REPORTS
卷 5, 期 -, 页码 -出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/srep12050
关键词
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资金
- National Research Foundation of Korea (NRF) - Ministry of Education [2014R1A1A2057202]
- National Institute of Supercomputing and Networking/Korea Institute of Science and Technology Information [KSC-2014-C3-050]
- Computing System for Research in Kyushu University
- Advanced Low Carbon Technology Research and Development Program (ALCA)
- High-efficiency Energy Conversion by Spinodal Nano-decomposition program of Japan Science and Technology Agency (JST)
- JSPS Core-to-Core Program (A) Advanced Research Networks (Computational Nano-materials Design on Green Energy)
- National Research Foundation of Korea [2014R1A1A2057202] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
Despite decades of progress, an understanding of unconventional superconductivity still remains elusive. An important open question is about the material dependence of the superconducting properties. Using the quasiparticle self-consistent GW method, we re-examine the electronic structure of copper oxide high-T-c materials. We show that QSGW captures several important features, distinctive from the conventional LDA results. The energy level splitting between d(x2-y2) and d(3z2-r2) is significantly enlarged and the van Hove singularity point is lowered. The calculated results compare better than LDA with recent experimental results from resonant inelastic xray scattering and angle resolved photoemission experiments. This agreement with the experiments supports the previously suggested two-band theory for the material dependence of the superconducting transition temperature, T-c.
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