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多组分硼酸盐晶体中的 Jahn-Teller 效应及二价铜离子行为特征

Jahn-Teller effect and features of divalent copper ion behavior in multicomponent borate crystals.

作者信息

Minikayev Roman, Prokhorov Aleksandr, Lančok Jan, Prokhorov Andrey

机构信息

Institute of Physics PAS, al. Lotnikow 32/46, 02-668, Warsaw, Poland.

A. A. Galkin Donetsk Physico-Technical Institute, R. Luxemburg 72, Donetsk, 83114, Ukraine.

出版信息

Sci Rep. 2024 Jul 9;14(1):15793. doi: 10.1038/s41598-024-66557-1.

DOI:10.1038/s41598-024-66557-1
PMID:38982197
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11233626/
Abstract

Crystals of YGa(BO), YAl(BO), EuGa(BO) and EuAl(BO) with copper alloy were studied by electron paramagnetic resonance and X-ray diffraction analysis. The lattice parameters and coordinates of copper-doped boron atoms were determined. The study of EPR spectra showed that copper is in the divalent state and replaces aluminum ions with C node symmetry. In YAl(BO):Cu crystals, a ligand structure exists due to the interaction of copper electrons with yttrium nuclei. The parameters of the spin Hamiltonian describing the behavior of the Cu spectrum have been determined. The deviation of the Z-axis spectra from the C axis by 54(1)° is due to Jahn-Teller vibronic interaction and monoclinic distortion. In the EuGa(BO3 crystal, a new spectrum 2 was found, which also belongs to divalent copper but is observed at an excited state 31 cm away from the ground state. Above 70 K, an isotropic EPR line with a width of 450 Gs, g = 2.1, appears and exists up to room temperature.

摘要

采用电子顺磁共振和X射线衍射分析方法对YGa(BO)、YAl(BO)、EuGa(BO)和EuAl(BO)与铜合金的晶体进行了研究。确定了铜掺杂硼原子的晶格参数和坐标。电子顺磁共振谱研究表明，铜处于二价态，以C节点对称取代铝离子。在YAl(BO):Cu晶体中，由于铜电子与钇核的相互作用，存在配体结构。已确定描述Cu谱行为的自旋哈密顿量参数。Z轴谱相对于C轴偏离54(1)°是由于 Jahn-Teller 振动相互作用和单斜畸变。在EuGa(BO₃)晶体中，发现了一种新的谱线2，它也属于二价铜，但在距基态31 cm的激发态下观察到。在70 K以上，出现宽度为450 Gs、g = 2.1的各向同性电子顺磁共振线，直至室温都存在。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6092/11233626/9ffabd52c965/41598_2024_66557_Fig10_HTML.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6092/11233626/3cdb7a462e05/41598_2024_66557_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6092/11233626/42e71b3284b5/41598_2024_66557_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6092/11233626/9a5efc86778b/41598_2024_66557_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6092/11233626/815cde0020a8/41598_2024_66557_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6092/11233626/933cb3d687ae/41598_2024_66557_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6092/11233626/9ffabd52c965/41598_2024_66557_Fig10_HTML.jpg

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本文引用的文献

1
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