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Special Issue:
Virtual Special Topic — High temperature superconductivity
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| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Hybrid crystals of cuprates and iron-based superconductors |
| Xia Dai(代霞)1, Cong-Cong Le(勒聪聪)1, Xian-Xin Wu(吴贤新)1, Jiang-Ping Hu(胡江平)1,2,3 |
1 Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
2 Collaborative Innovation Center of Quantum Matter, Beijing, China;
3 Department of Physics, Purdue University, West Lafayette, Indiana 47907, USA |
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Abstract We propose two possible new compounds, Ba2CuO2Fe2As2 and K2CuO2Fe2Se2, which hybridize the building blocks of two high temperature superconductors, cuprates and iron-based superconductors. These compounds consist of square CuO2 layers and antifluorite-type Fe2X2 (X=As, Se) layers separated by Ba/K. The calculations of binding energies and phonon spectra indicate that they are dynamically stable, which ensures that they may be experimentally synthesized. The Fermi surfaces and electronic structures of the two compounds inherit the characteristics of both cuprates and iron-based superconductors. These compounds can be superconductors with intriguing physical properties to help to determine the pairing mechanisms of high Tc superconductivity.
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Received: 29 January 2016
Revised: 19 April 2016
Accepted manuscript online:
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PACS:
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74.70.Xa
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(Pnictides and chalcogenides)
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61.50.-f
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(Structure of bulk crystals)
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75.50.Bb
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(Fe and its alloys)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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| Fund: Project supported by the National Basic Research Program of China (Grant No. 2015CB921300), the National Natural Science Foundation of China (Grant Nos. 1190020 and 11334012), and the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB07000000). |
Corresponding Authors:
Jiang-Ping Hu
E-mail: jphu@iphy.ac.cn
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Cite this article:
Xia Dai(代霞), Cong-Cong Le(勒聪聪), Xian-Xin Wu(吴贤新), Jiang-Ping Hu(胡江平) Hybrid crystals of cuprates and iron-based superconductors 2016 Chin. Phys. B 25 077402
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