Correlated electronic structure of high-temperature superconductor Ba$_2$CuO$_{3+δ}$

Fuente: arXiv
Salvato in:
Dettagli Bibliografici
Autori principali: Wang, Jing-Xuan, He, Rong-Qiang, Lu, Zhong-Yi
Natura: Preprint
Pubblicazione: 2025
Soggetti:
Accesso online:
Tags: Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne!!
_version_ 1866909984001884160
author Wang, Jing-Xuan
He, Rong-Qiang
Lu, Zhong-Yi
author_facet Wang, Jing-Xuan
He, Rong-Qiang
Lu, Zhong-Yi
contents Cuprate superconductors have attracted extensive attention due to high critical temperatures. Conventional cuprates typically contain perfect CuO$_2$ planes which are considered as a key factor to superconductivity since the superconductivity takes place in them. However, in Ba$_2$CuO$_{3+δ}$ with $δ=0.2$ and O-depleted CuO$_2$ planes, superconductivity still arises even with a transition temperature as high as 73 K. Using combined density functional theory and dynamical mean-field theory (DFT+DMFT) calculations, we investigated the electronic correlation and electronic structure of Ba$_2$CuO$_{3.25}$ with alternating quasi-one-dimensional (1D) CuO planes and O-depleted CuO$_2$ planes. We find that although different from the usual cuprates, the Cu atoms are still dominated by a 3$d^9$ configuration and the system is of a new kind of correlated single-orbital physics. The quasi-1D CuO planes, composed of parallel Cu-O chains, are slightly hole-doped quasi-1D Mott insulator, while the O-depleted CuO$_2$ planes are more hole doped, with a 2D correlated electronic structure, and may host superconductivity.
format Preprint
id arxiv_https___arxiv_org_abs_2507_11454
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Correlated electronic structure of high-temperature superconductor Ba$_2$CuO$_{3+δ}$
Wang, Jing-Xuan
He, Rong-Qiang
Lu, Zhong-Yi
Superconductivity
Strongly Correlated Electrons
Cuprate superconductors have attracted extensive attention due to high critical temperatures. Conventional cuprates typically contain perfect CuO$_2$ planes which are considered as a key factor to superconductivity since the superconductivity takes place in them. However, in Ba$_2$CuO$_{3+δ}$ with $δ=0.2$ and O-depleted CuO$_2$ planes, superconductivity still arises even with a transition temperature as high as 73 K. Using combined density functional theory and dynamical mean-field theory (DFT+DMFT) calculations, we investigated the electronic correlation and electronic structure of Ba$_2$CuO$_{3.25}$ with alternating quasi-one-dimensional (1D) CuO planes and O-depleted CuO$_2$ planes. We find that although different from the usual cuprates, the Cu atoms are still dominated by a 3$d^9$ configuration and the system is of a new kind of correlated single-orbital physics. The quasi-1D CuO planes, composed of parallel Cu-O chains, are slightly hole-doped quasi-1D Mott insulator, while the O-depleted CuO$_2$ planes are more hole doped, with a 2D correlated electronic structure, and may host superconductivity.
title Correlated electronic structure of high-temperature superconductor Ba$_2$CuO$_{3+δ}$
topic Superconductivity
Strongly Correlated Electrons
url https://arxiv.org/abs/2507.11454