Electronic structure of perovskite related La2CuSnO6

D. L. Novikov; A. J. Freeman; K. R. Poeppelmeier; V. P. Zhukov

doi:10.1016/0921-4534(95)00337-1

Electronic structure of perovskite related La₂CuSnO₆

D. L. Novikov, A. J. Freeman, K. R. Poeppelmeier, V. P. Zhukov

Northwestern University

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

9 Citations (Scopus)

Abstract

The band structure of La₂CuSnO₆ in both its real and idealized crystal structure was determined using the local density full-potential linearized muffin-tin orbital (LMTO) method. Unlike the case for all other high-T_c copper-based materials, the Fermi energy for the undoped crystal is located exactly on the van Hove saddle-point singularity, which may be the main reason for the lattice distortions observed in the real material. We suggest that a possible way, if any, to drive this compound into the superconducting state is to be achieved via electron doping. For several reasons, we do not expect a high T_c value.

Original language	English
Pages (from-to)	7-12
Number of pages	6
Journal	Physica C: Superconductivity and its applications
Volume	252
Issue number	1-2
DOIs	https://doi.org/10.1016/0921-4534(95)00337-1
Publication status	Published - Oct 1 1995

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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title = "Electronic structure of perovskite related La2CuSnO6",

abstract = "The band structure of La2CuSnO6 in both its real and idealized crystal structure was determined using the local density full-potential linearized muffin-tin orbital (LMTO) method. Unlike the case for all other high-Tc copper-based materials, the Fermi energy for the undoped crystal is located exactly on the van Hove saddle-point singularity, which may be the main reason for the lattice distortions observed in the real material. We suggest that a possible way, if any, to drive this compound into the superconducting state is to be achieved via electron doping. For several reasons, we do not expect a high Tc value.",

author = "Novikov, {D. L.} and Freeman, {A. J.} and Poeppelmeier, {K. R.} and Zhukov, {V. P.}",

note = "Funding Information: We thank M. Methfessel for an early version of his FLMTO code. This work was supported by the National Science Foundation (through the North-western University Science and Technology Center for Superconductivity, Grant No. DMR 91-20000, and by a grant of computer time at the Pittsburgh Supercomputing Center supported by its Division of Advanced Scientific Computing).",

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T1 - Electronic structure of perovskite related La2CuSnO6

AU - Novikov, D. L.

AU - Freeman, A. J.

AU - Poeppelmeier, K. R.

AU - Zhukov, V. P.

N1 - Funding Information: We thank M. Methfessel for an early version of his FLMTO code. This work was supported by the National Science Foundation (through the North-western University Science and Technology Center for Superconductivity, Grant No. DMR 91-20000, and by a grant of computer time at the Pittsburgh Supercomputing Center supported by its Division of Advanced Scientific Computing).

PY - 1995/10/1

Y1 - 1995/10/1

N2 - The band structure of La2CuSnO6 in both its real and idealized crystal structure was determined using the local density full-potential linearized muffin-tin orbital (LMTO) method. Unlike the case for all other high-Tc copper-based materials, the Fermi energy for the undoped crystal is located exactly on the van Hove saddle-point singularity, which may be the main reason for the lattice distortions observed in the real material. We suggest that a possible way, if any, to drive this compound into the superconducting state is to be achieved via electron doping. For several reasons, we do not expect a high Tc value.

AB - The band structure of La2CuSnO6 in both its real and idealized crystal structure was determined using the local density full-potential linearized muffin-tin orbital (LMTO) method. Unlike the case for all other high-Tc copper-based materials, the Fermi energy for the undoped crystal is located exactly on the van Hove saddle-point singularity, which may be the main reason for the lattice distortions observed in the real material. We suggest that a possible way, if any, to drive this compound into the superconducting state is to be achieved via electron doping. For several reasons, we do not expect a high Tc value.

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