Electronic structure and Fermi surface of the HgBa2CuO4+δ superconductor. Apparent importance of the role of van Hove singularities on high Tc

D. L. Novikov; A. J. Freeman

doi:10.1016/0921-4534(93)90509-O

Electronic structure and Fermi surface of the HgBa₂CuO_4+δ superconductor. Apparent importance of the role of van Hove singularities on high T_c

D. L. Novikov^*, A. J. Freeman

^*Corresponding author for this work

Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

68 Scopus citations

Abstract

The electronic structure and Fermi surface of the recently discovered HgBa₂CuO_4+δ superconductor with T_c=95 K is calculated making use of the full-potential linear muffin-tin orbital (FLMTO) method. Similarly to the other high-T_c cuprates, the main feature of the electronic structure of undoped HgBa₂CuO₄ is a single free-electron-like-two-dimensional dpσ band crossing E_F. As for the "infinite layered" compound, (Sr_1-xCa_x)_1-yCuO₂ with T_c=110 K, the Fermi surface has the shape of a rounded square, and a major van Hove saddle-point singularity (vHS) exists near E_F. Drastic changes of the density of states and Fermi surface are found when the hole doping moves the Fermi energy precisely onto the vHs, which is now seen to have a strong influence on the superconducting properties of this compound. These striking results also call attention to and provide possible support for vHs based excitonic pairing mechanisms for high T_c.

Original language	English (US)
Pages (from-to)	233-238
Number of pages	6
Journal	Physica C: Superconductivity and its applications
Volume	212
Issue number	1-2
DOIs	https://doi.org/10.1016/0921-4534(93)90509-O
State	Published - Jul 1 1993

Funding

We thank J.D. Jorgensen, D.G. Hinks, P.G Ra-daelli and A.J. Fedro Ibr helpful discussions and encouragement. This work was supported by the National Science Foundation (through the Northwestern University Science and Technology Center for Superconductivity, Grant No. DMR 92-20000, and by a grant of computer time at the NCSA. Champaign/Urbana, Illinois).

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Energy Engineering and Power Technology
Electrical and Electronic Engineering

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10.1016/0921-4534(93)90509-O

Cite this

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title = "Electronic structure and Fermi surface of the HgBa2CuO4+δ superconductor. Apparent importance of the role of van Hove singularities on high Tc",

abstract = "The electronic structure and Fermi surface of the recently discovered HgBa2CuO4+δ superconductor with Tc=95 K is calculated making use of the full-potential linear muffin-tin orbital (FLMTO) method. Similarly to the other high-Tc cuprates, the main feature of the electronic structure of undoped HgBa2CuO4 is a single free-electron-like-two-dimensional dpσ band crossing EF. As for the {"}infinite layered{"} compound, (Sr1-xCax)1-yCuO2 with Tc=110 K, the Fermi surface has the shape of a rounded square, and a major van Hove saddle-point singularity (vHS) exists near EF. Drastic changes of the density of states and Fermi surface are found when the hole doping moves the Fermi energy precisely onto the vHs, which is now seen to have a strong influence on the superconducting properties of this compound. These striking results also call attention to and provide possible support for vHs based excitonic pairing mechanisms for high Tc.",

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note = "Funding Information: We thank J.D. Jorgensen, D.G. Hinks, P.G Ra-daelli and A.J. Fedro Ibr helpful discussions and encouragement. This work was supported by the National Science Foundation (through the Northwestern University Science and Technology Center for Superconductivity, Grant No. DMR 92-20000, and by a grant of computer time at the NCSA. Champaign/Urbana, Illinois).",

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N2 - The electronic structure and Fermi surface of the recently discovered HgBa2CuO4+δ superconductor with Tc=95 K is calculated making use of the full-potential linear muffin-tin orbital (FLMTO) method. Similarly to the other high-Tc cuprates, the main feature of the electronic structure of undoped HgBa2CuO4 is a single free-electron-like-two-dimensional dpσ band crossing EF. As for the "infinite layered" compound, (Sr1-xCax)1-yCuO2 with Tc=110 K, the Fermi surface has the shape of a rounded square, and a major van Hove saddle-point singularity (vHS) exists near EF. Drastic changes of the density of states and Fermi surface are found when the hole doping moves the Fermi energy precisely onto the vHs, which is now seen to have a strong influence on the superconducting properties of this compound. These striking results also call attention to and provide possible support for vHs based excitonic pairing mechanisms for high Tc.

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