Evolution of Magnetic Symmetry through the BiFeO3-Ca2Fe4/3W2/3O6 Phase Diagram.

IF 4.3 2区化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR

Inorganic Chemistry Pub Date : 2025-07-19 DOI:10.1021/acs.inorgchem.5c01516

Catriona A Crawford,T Wesley Surta,Luke M Daniels,Stanislav Savvin,Hongjun Niu,Jonathan Alaria,John B Claridge,Matthew J Rosseinsky

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Abstract

Perovskites offer vast flexibility in tuning subtle distortions in their structures through their innate ability to host a wide range of compositional combinations. Minor changes in composition can dramatically influence the properties observed through structural distortions such as octahedral tilting. In addition to understanding their properties, in magnetic materials, the magnetic structure is also tied to the nuclear structural distortions and can have more complex behavior with changing composition. In this work we report on the magnetic properties, and nuclear and magnetic structures of the solid solution (1 - x)BiFeO3 - (x/2)Ca2Fe4/3W2/3O6. With the exception of BiFeO3, all samples show a weak ferromagnetic behavior arising from spin canting. We find that despite only one structural phase transition occurring from R3c to Pnma in this solid solution, the magnetic phase diagram is far more complex, with four distinct magnetic phases occurring in the compositional range 0.1 < x < 1. Using a combination of neutron and X-ray diffraction, we find that a crossover between long and short Fe-O bond lengths and divergence of Fe-O-Fe bond angles with composition drive the changes in magnetic structure and can be correlated to the resulting magnetic properties.

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BiFeO3-Ca2Fe4/3W2/3O6相图中磁对称性的演化

钙钛矿通过其固有的承载各种成分组合的能力，在调整其结构中的细微扭曲方面提供了巨大的灵活性。成分的微小变化可以显著影响通过诸如八面体倾斜等结构扭曲观察到的性质。除了了解磁性材料的性质外，磁性材料的磁性结构还与核结构畸变有关，并且随着成分的变化可以具有更复杂的行为。本文报道了固溶体（1 - x）BiFeO3 - (x/2)Ca2Fe4/3W2/3O6的磁性和核磁性结构。除BiFeO3外，所有样品均表现出由自旋倾斜引起的弱铁磁行为。我们发现，尽管在该固溶体中只发生了从R3c到Pnma的一个结构相变，但磁相图要复杂得多，在组分0.1 < x < 1范围内出现了四个不同的磁相。利用中子和x射线衍射的结合，我们发现Fe-O长键和短键长度的交叉以及Fe-O- fe键角随组成的发散驱动了磁性结构的变化，并与由此产生的磁性能相关。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Inorganic Chemistry 化学-无机化学与核化学

CiteScore

7.60

自引率

13.00%

发文量

1960

审稿时长

1.9 months

期刊介绍： Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.