三方Cr5Te8 的磁结构和反常热膨胀

doi:10.11900/0412.1961.2024.00008

金属学报

2024, Vol. 60

Issue (8): 1150-1154 DOI: 10.11900/0412.1961.2024.00008

研究论文

本期目录 | 过刊浏览

三方Cr₅Te₈ 的磁结构和反常热膨胀

任卫军¹^,²(

), 安萌¹^,², 高飞¹^,², 罗小华¹, 李昺¹^,², 张志东¹^,², 王进威³

1 中国科学院金属研究所沈阳材料科学国家研究中心沈阳 110016
2 中国科学技术大学材料科学与工程学院沈阳 110016
3 Australian Nuclear Science and Technology Organisation, New Illawarra Road, Lucas Heights, NSW 2234, Australia

Magnetic Structure and Abnormal Thermal Expansion of Trigonal Cr₅Te₈

REN Weijun¹^,²(

), AN Meng¹^,², GAO Fei¹^,², LUO Xiaohua¹, LI Bing¹^,², ZHANG Zhidong¹^,², WANG Chin-Wei³

1 Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
2 School of Materials Science and Engineering, University of Science and Technology of China, Shenyang 110016, China
3 Australian Nuclear Science and Technology Organisation, New Illawarra Road, Lucas Heights, NSW 2234, Australia

引用本文:

任卫军, 安萌, 高飞, 罗小华, 李昺, 张志东, 王进威. 三方Cr₅Te₈ 的磁结构和反常热膨胀[J]. 金属学报, 2024, 60(8): 1150-1154.
Weijun REN, Meng AN, Fei GAO, Xiaohua LUO, Bing LI, Zhidong ZHANG, Chin-Wei WANG. Magnetic Structure and Abnormal Thermal Expansion of Trigonal Cr₅Te₈[J]. Acta Metall Sin, 2024, 60(8): 1150-1154.

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摘要:

很多二元Cr-Te化合物具有NiAs结构，其中金属Cr原子出现不同程度的有序缺位。Cr₅Te₈有三方和单斜2种结构，本工作采用粉末X射线和中子衍射结合Rietveld全谱拟合，确定了用自助溶剂生长的三方Cr₅Te₈单晶具有P $3 ¯$ m1晶体结构，点阵参数a = 0.3900 nm，c = 0.5986 nm。粉末中子衍射实验揭示Cr₅Te₈是磁矩沿c方向的共线铁磁化合物，a方向具有小的负热膨胀，c方向显示正常热膨胀。以最低温3.3 K为参考温度点，在3.3~300 K温度范围内，a方向平均热膨胀系数为-10.7 × 10^-6 K^-1，c方向平均膨胀系数为52.4 × 10^-6 K^-1。[101]、[302]和[201]取向的Cr₅Te₈具有近零热膨胀，具备应用前景。Cr₅Te₈的反常热膨胀与其磁有序没有明显关联，可能与晶格中存在大量的Cr空位有关。

关键词 ：粉末中子衍射, 负热膨胀, 磁结构

Abstract：

Many binary Cr-Te compounds can be regarded as formed due to varying degrees of ordered vacancies of metal Cr atoms in Cr-Te with the NiAs structure. Among them, Cr₅Te₈ shows two structures: trigonal and monoclinic. This study determined that Cr₅Te₈ grown using the self-flux method shows a trigonal P $3 ¯$ m1 crystal structure with lattice constants a = 0.3900 nm and c = 0.5986 nm, as elucidated through the Rietveld refinement of powder X-ray and neutron diffraction patterns. Neutron powder diffraction experiments reveal its collinear ferromagnetic compound, with Cr magnetic moments oriented along the c axis. In addition, it exhibits low negative thermal expansion along the a direction and normal thermal expansion along the c direction. Within the temperature range of 3.3-300 K, using the lowest temperature of 3.3 K as a reference, the average thermal expansion coefficient of Cr₅Te₈ is -10.7 × 10^-6 and 52.4 × 10^-6 K^-1 in the a and c directions, respectively. Cr₅Te₈ crystals oriented along the [101], [302], and [201] directions show near-zero thermal expansion and thus have wide application prospects. The abnormal thermal expansion of Cr₅Te₈ is apparently unrelated to its magnetic order but may be related to the Cr vacancies in the crystal lattice.

Key words： neutron powder diffraction negative thermal expansion magnetic structure

收稿日期: 2024-01-12

ZTFLH:

O482.54

基金资助:国家重点研发计划项目(2020YFA0406002);国家自然科学基金面上项目(52071323)

通讯作者: 任卫军，wjren@imr.ac.cn，主要从事磁性材料研究

Corresponding author: REN Weijun, professor, Tel: (024)23971856, E-mail: wjren@imr.ac.cn

作者简介: 任卫军，男，1970年生，研究员，博士

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https://www.ams.org.cn/CN/10.11900/0412.1961.2024.00008 或 https://www.ams.org.cn/CN/Y2024/V60/I8/1150

图1 Cr5Te8室温粉末XRD谱的2个模型精修结果

图2 Cr5Te8室温NPD谱的2个模型精修结果

Diffraction pattern	Space group	a / nm	c / nm	R_p / %	R_wp / %	χ²
XRD	P $3 ¯$ m1	0.3900	0.5989	2.42	3.47	5.21
	P $3 ¯$ m1	0.7800	1.1979	2.70	3.93	6.70
NPD	P $3 ¯$ m1	0.3900	0.5986	1.13	1.42	1.07
	P $3 ¯$ m1	0.7801	1.1972	1.14	1.43	1.09

表1 2个模型X射线衍射和中子衍射的精修结果

图3 Cr5Te8不同温度NPD谱

图4 Cr5Te8实验磁衍射与4种磁结构模型

图5 Cr5Te8 3.3 K NPD谱及其精修结果，及Cr5Te8磁结构示意图

图6 Cr5Te8点阵参数a、c、a / c比和晶胞体积及Cr磁矩随温度的变化规律

图7 Cr5Te8 (101)、(201)、(302)晶面间距随温度的变化

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