From (S = 1) Spin Hexamer to Spin Tetradecamer ...
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Article dans une revue scientifique: Article original
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Title :
From (S = 1) Spin Hexamer to Spin Tetradecamer by CuO Interstitials in A2Cu3O(CuO)x(SO4)3 (A = alkali)
Author(s) :
Nekrasova, Diana [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
St Petersburg State University [SPbU]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Tsirlin, Alexander A. [Auteur]
Colmont, Marie [Auteur]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Siidra, Oleg I. [Auteur]
Arevalo Lopez, Angel [Auteur]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Mentre, Olivier [Auteur]
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
St Petersburg State University [SPbU]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Tsirlin, Alexander A. [Auteur]
Colmont, Marie [Auteur]

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Siidra, Oleg I. [Auteur]
Arevalo Lopez, Angel [Auteur]

Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Mentre, Olivier [Auteur]

Unité de Catalyse et Chimie du Solide - UMR 8181 [UCCS]
Unité de Catalyse et Chimie du Solide (UCCS) - UMR 8181
Journal title :
Inorganic Chemistry
Abbreviated title :
Inorg Chem
Volume number :
60
Pages :
18185–18191
Publisher :
ACS Publications
Publication date :
2021-11-29
ISSN :
1520-510X
HAL domain(s) :
Chimie/Cristallographie
Chimie/Chimie inorganique
Chimie/Chimie inorganique
English abstract : [en]
(Na,K)2Cu3O(SO4)3 compounds form structural chains of Cu6 hexameric units with nominal S = 1 spins due to the interplay between inner strong antiferromagnetic and ferromagnetic exchanges. We show here that the lattice ...
Show more >(Na,K)2Cu3O(SO4)3 compounds form structural chains of Cu6 hexameric units with nominal S = 1 spins due to the interplay between inner strong antiferromagnetic and ferromagnetic exchanges. We show here that the lattice relaxation after the replacement of alkali by larger Rb and Cs ones is accompanied by the insertion of neutral CuO species into (Rb,Cs)2Cu3O(CuO)x(SO4)3 phases. Structurally, interstitial CuO links the next two Cu6 units in longer Cu14 tetradecameric ones. For A = Cs (x = 0.5), the cationic ordering is perfect inside a double-cell superstructure. Magnetically, the original Cu14 units consist of frustrated fragments of an S = 1/2 spin ladder, with ferromagnetic rung-like but antiferromagnetic leg-like and next-nearest neighbor couplings. It returns S = 1 Cu14 spin clusters, effective around 100 K. Our density functional theory calculations and susceptibility fits also show that at low temperatures they interact in two-dimensional lattices, despite the existence of short inter-Cu–Cu distances between the next two clusters along pseudo-one-dimensional chains.Show less >
Show more >(Na,K)2Cu3O(SO4)3 compounds form structural chains of Cu6 hexameric units with nominal S = 1 spins due to the interplay between inner strong antiferromagnetic and ferromagnetic exchanges. We show here that the lattice relaxation after the replacement of alkali by larger Rb and Cs ones is accompanied by the insertion of neutral CuO species into (Rb,Cs)2Cu3O(CuO)x(SO4)3 phases. Structurally, interstitial CuO links the next two Cu6 units in longer Cu14 tetradecameric ones. For A = Cs (x = 0.5), the cationic ordering is perfect inside a double-cell superstructure. Magnetically, the original Cu14 units consist of frustrated fragments of an S = 1/2 spin ladder, with ferromagnetic rung-like but antiferromagnetic leg-like and next-nearest neighbor couplings. It returns S = 1 Cu14 spin clusters, effective around 100 K. Our density functional theory calculations and susceptibility fits also show that at low temperatures they interact in two-dimensional lattices, despite the existence of short inter-Cu–Cu distances between the next two clusters along pseudo-one-dimensional chains.Show less >
Language :
Anglais
Peer reviewed article :
Oui
Audience :
Internationale
Popular science :
Non
Administrative institution(s) :
Université de Lille
CNRS
Centrale Lille
ENSCL
Univ. Artois
CNRS
Centrale Lille
ENSCL
Univ. Artois
Collections :
Research team(s) :
Matériaux inorganiques, structures, systèmes et propriétés (MISSP)
Submission date :
2023-05-30T15:26:30Z
2023-06-22T13:55:46Z
2023-06-22T13:55:46Z
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