1A1g to 3B1g Conversion at the Onset of Superconductivity in La2-xSrxCuO4 Due to the Apical Oxygen Effect

Hiroshi Kamimura; Mikio Eto

doi:10.1143/JPSJ.59.3053

¹A_1g to ³B_1g Conversion at the Onset of Superconductivity in La_2-xSr_xCuO₄ Due to the Apical Oxygen Effect

Hiroshi Kamimura, Mikio Eto

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

17 Citations (Scopus)

Abstract

By the first-principles variational calculations we show that, with the increase of Sr concentration, the ground state of CuO₆ octahedron in La_2-xSr_xCuO₄ changes from ¹A_1g to ³B_1g near the observed onset concentration of superconductivity while the ground state of the CuO₄ cluster in Nd_2-xCe_xCuO₄ is always ³B_1g in the presence of dopant electrons. Based on this result, two kinds of phase diagrams are predicted for hole- and electron-doped superconductors. These results support the spin polaron mechanism proposed by Kamimura et al.

Original language	English
Pages (from-to)	3053-3056
Number of pages	4
Journal	Journal of the Physical Society of Japan
Volume	59
Issue number	9
DOIs	https://doi.org/10.1143/JPSJ.59.3053
Publication status	Published - 1990
Externally published	Yes

Keywords

La2-xSrxCuO4
MCSCF method
Nd2-xCexCuO4
cluster simulation
high temperature superconductivity
spin polaron

ASJC Scopus subject areas

Physics and Astronomy(all)

Access to Document

10.1143/JPSJ.59.3053

Cite this

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title = "1A1g to 3B1g Conversion at the Onset of Superconductivity in La2-xSrxCuO4 Due to the Apical Oxygen Effect",

abstract = "By the first-principles variational calculations we show that, with the increase of Sr concentration, the ground state of CuO6 octahedron in La2-xSrxCuO4 changes from 1A1g to 3B1g near the observed onset concentration of superconductivity while the ground state of the CuO4 cluster in Nd2-xCexCuO4 is always 3B1g in the presence of dopant electrons. Based on this result, two kinds of phase diagrams are predicted for hole- and electron-doped superconductors. These results support the spin polaron mechanism proposed by Kamimura et al.",

keywords = "La2-xSrxCuO4, MCSCF method, Nd2-xCexCuO4, cluster simulation, high temperature superconductivity, spin polaron",

author = "Hiroshi Kamimura and Mikio Eto",

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T1 - 1A1g to 3B1g Conversion at the Onset of Superconductivity in La2-xSrxCuO4 Due to the Apical Oxygen Effect

AU - Kamimura, Hiroshi

AU - Eto, Mikio

PY - 1990

Y1 - 1990

N2 - By the first-principles variational calculations we show that, with the increase of Sr concentration, the ground state of CuO6 octahedron in La2-xSrxCuO4 changes from 1A1g to 3B1g near the observed onset concentration of superconductivity while the ground state of the CuO4 cluster in Nd2-xCexCuO4 is always 3B1g in the presence of dopant electrons. Based on this result, two kinds of phase diagrams are predicted for hole- and electron-doped superconductors. These results support the spin polaron mechanism proposed by Kamimura et al.

AB - By the first-principles variational calculations we show that, with the increase of Sr concentration, the ground state of CuO6 octahedron in La2-xSrxCuO4 changes from 1A1g to 3B1g near the observed onset concentration of superconductivity while the ground state of the CuO4 cluster in Nd2-xCexCuO4 is always 3B1g in the presence of dopant electrons. Based on this result, two kinds of phase diagrams are predicted for hole- and electron-doped superconductors. These results support the spin polaron mechanism proposed by Kamimura et al.

KW - La2-xSrxCuO4

KW - MCSCF method

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KW - cluster simulation

KW - high temperature superconductivity

KW - spin polaron

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