Magnetic order of the CuO2 chains in (Sr,Ca)14Cu 24 O41

U. Schwingenschlögl; C. Schuster

doi:10.1209/0295-5075/79/27003

Magnetic order of the CuO₂ chains in (Sr,Ca)₁₄Cu ₂₄ O₄₁

U. Schwingenschlögl^*, C. Schuster

^*Corresponding author for this work

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

14 Scopus citations

Abstract

We investigate the magnetism of the CuO₂ chains in the spin-chain compounds (Ca,Sr)₁₄Cu₂₄O₄₁ by means of LDA+U electronic structure calculations. The study is based on an effective model of two coupled CuO₂ chains, which captures the structural prerequisites of the exchange interaction. We determine the total energy of various spin configurations on coupled CuO₂ chains. In particular, we find that the ground state of Ca-rich spin-chain compounds is given by an antiferromagnetic intrachain spin order with 4k_F-periodic charge order, complemented by likewise antiferromagnetic interchain ordering.

Original language	English (US)
Article number	27003
Journal	EPL
Volume	79
Issue number	2
DOIs	https://doi.org/10.1209/0295-5075/79/27003
State	Published - Jul 1 2007
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy

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abstract = "We investigate the magnetism of the CuO2 chains in the spin-chain compounds (Ca,Sr)14Cu24O41 by means of LDA+U electronic structure calculations. The study is based on an effective model of two coupled CuO2 chains, which captures the structural prerequisites of the exchange interaction. We determine the total energy of various spin configurations on coupled CuO2 chains. In particular, we find that the ground state of Ca-rich spin-chain compounds is given by an antiferromagnetic intrachain spin order with 4kF-periodic charge order, complemented by likewise antiferromagnetic interchain ordering.",

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N2 - We investigate the magnetism of the CuO2 chains in the spin-chain compounds (Ca,Sr)14Cu24O41 by means of LDA+U electronic structure calculations. The study is based on an effective model of two coupled CuO2 chains, which captures the structural prerequisites of the exchange interaction. We determine the total energy of various spin configurations on coupled CuO2 chains. In particular, we find that the ground state of Ca-rich spin-chain compounds is given by an antiferromagnetic intrachain spin order with 4kF-periodic charge order, complemented by likewise antiferromagnetic interchain ordering.

AB - We investigate the magnetism of the CuO2 chains in the spin-chain compounds (Ca,Sr)14Cu24O41 by means of LDA+U electronic structure calculations. The study is based on an effective model of two coupled CuO2 chains, which captures the structural prerequisites of the exchange interaction. We determine the total energy of various spin configurations on coupled CuO2 chains. In particular, we find that the ground state of Ca-rich spin-chain compounds is given by an antiferromagnetic intrachain spin order with 4kF-periodic charge order, complemented by likewise antiferromagnetic interchain ordering.

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Magnetic order of the CuO₂ chains in (Sr,Ca)₁₄Cu ₂₄ O₄₁

Abstract

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