三元铈镍磷化物 Ce2Ni12P5 的中间价行为

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-07-19 DOI:10.1016/j.elspec.2024.147471
Ivan Shcherba , Volodymyr Babizhetskyy , Victor N. Antonov , Henryk Noga , Olha Zhak , Lev Bekenov , Jürgen Köhler , Reinhard K. Kremer , Bogdan Kuzhel , Marcin Jasinski
{"title":"三元铈镍磷化物 Ce2Ni12P5 的中间价行为","authors":"Ivan Shcherba ,&nbsp;Volodymyr Babizhetskyy ,&nbsp;Victor N. Antonov ,&nbsp;Henryk Noga ,&nbsp;Olha Zhak ,&nbsp;Lev Bekenov ,&nbsp;Jürgen Köhler ,&nbsp;Reinhard K. Kremer ,&nbsp;Bogdan Kuzhel ,&nbsp;Marcin Jasinski","doi":"10.1016/j.elspec.2024.147471","DOIUrl":null,"url":null,"abstract":"<div><p>The crystal structure of the ternary phosphide Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> (La<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub>-type structure) has been determined from X-ray powder diffraction data: full profile refinement, monoclinic symmetry, space group <em>P</em>2<sub>1</sub>/<em>m</em>, <em>a</em> = 10.7809(2) Å, <em>b</em> = 3.6869(1) Å, <em>c</em> = 13.1490(3) Å, <em>β</em> = 107.776(4)º, <em>R</em><sub>I</sub> = 0.068, <em>R</em><sub>P</sub> = 0.044, <em>R</em><sub>wP</sub> = 0.060. Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> is a ferromagnet with a Curie temperature of 5.8(5) K. A significant deviation from the linearity of the temperature dependence of the electrical resistance for Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> has been found. The low-temperature part of the electrical resistance indicates the presence of magnetic interactions in Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub>. The influence of a magnetic field on the electrical resistance of Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> has been studied. The X-ray absorption spectrum at the Ce L<sub>III</sub> edge and X-ray emission spectra of Ni and P at the K and L<sub>III</sub> edges have been studied experimentally and theoretically using DFT+<em>U</em> calculations. The calculations show good agreement with the experimental measurements. The effective valence of Ce in Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> determined based on the Ce L<sub>III</sub> absorption spectrum is <em>ϑ</em><sub>eff</sub> ∼ 3.05.</p></div>","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2024-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Intermediate valence behavior of the ternary cerium-nickel-phosphide Ce2Ni12P5\",\"authors\":\"Ivan Shcherba ,&nbsp;Volodymyr Babizhetskyy ,&nbsp;Victor N. Antonov ,&nbsp;Henryk Noga ,&nbsp;Olha Zhak ,&nbsp;Lev Bekenov ,&nbsp;Jürgen Köhler ,&nbsp;Reinhard K. Kremer ,&nbsp;Bogdan Kuzhel ,&nbsp;Marcin Jasinski\",\"doi\":\"10.1016/j.elspec.2024.147471\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The crystal structure of the ternary phosphide Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> (La<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub>-type structure) has been determined from X-ray powder diffraction data: full profile refinement, monoclinic symmetry, space group <em>P</em>2<sub>1</sub>/<em>m</em>, <em>a</em> = 10.7809(2) Å, <em>b</em> = 3.6869(1) Å, <em>c</em> = 13.1490(3) Å, <em>β</em> = 107.776(4)º, <em>R</em><sub>I</sub> = 0.068, <em>R</em><sub>P</sub> = 0.044, <em>R</em><sub>wP</sub> = 0.060. Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> is a ferromagnet with a Curie temperature of 5.8(5) K. A significant deviation from the linearity of the temperature dependence of the electrical resistance for Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> has been found. The low-temperature part of the electrical resistance indicates the presence of magnetic interactions in Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub>. The influence of a magnetic field on the electrical resistance of Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> has been studied. The X-ray absorption spectrum at the Ce L<sub>III</sub> edge and X-ray emission spectra of Ni and P at the K and L<sub>III</sub> edges have been studied experimentally and theoretically using DFT+<em>U</em> calculations. The calculations show good agreement with the experimental measurements. The effective valence of Ce in Ce<sub>2</sub>Ni<sub>12</sub>P<sub>5</sub> determined based on the Ce L<sub>III</sub> absorption spectrum is <em>ϑ</em><sub>eff</sub> ∼ 3.05.</p></div>\",\"PeriodicalId\":1,\"journal\":{\"name\":\"Accounts of Chemical Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":16.4000,\"publicationDate\":\"2024-07-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Accounts of Chemical Research\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0368204824000549\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0368204824000549","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

摘要

根据 X 射线粉末衍射数据确定了三元磷化物 Ce2Ni12P5(La2Ni12P5 型结构)的晶体结构:全剖面细化,单斜对称,空间群 P21/m,a = 10.7809(2) Å, b = 3.6869(1) Å, c = 13.1490(3) Å, β = 107.776(4)º, RI = 0.068, RP = 0.044, RwP = 0.060。Ce2Ni12P5 是一种铁磁体,居里温度为 5.8(5) K。电阻的低温部分表明 Ce2Ni12P5 中存在磁相互作用。研究了磁场对 Ce2Ni12P5 电阻的影响。利用 DFT+U 计算方法对 Ce LIII 边的 X 射线吸收光谱以及 K 和 LIII 边的 Ni 和 P 的 X 射线发射光谱进行了实验和理论研究。计算结果与实验测量结果吻合良好。根据Ce LIII吸收光谱确定的Ce2Ni12P5中Ce的有效价为ϑeff ∼ 3.05。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
Intermediate valence behavior of the ternary cerium-nickel-phosphide Ce2Ni12P5

The crystal structure of the ternary phosphide Ce2Ni12P5 (La2Ni12P5-type structure) has been determined from X-ray powder diffraction data: full profile refinement, monoclinic symmetry, space group P21/m, a = 10.7809(2) Å, b = 3.6869(1) Å, c = 13.1490(3) Å, β = 107.776(4)º, RI = 0.068, RP = 0.044, RwP = 0.060. Ce2Ni12P5 is a ferromagnet with a Curie temperature of 5.8(5) K. A significant deviation from the linearity of the temperature dependence of the electrical resistance for Ce2Ni12P5 has been found. The low-temperature part of the electrical resistance indicates the presence of magnetic interactions in Ce2Ni12P5. The influence of a magnetic field on the electrical resistance of Ce2Ni12P5 has been studied. The X-ray absorption spectrum at the Ce LIII edge and X-ray emission spectra of Ni and P at the K and LIII edges have been studied experimentally and theoretically using DFT+U calculations. The calculations show good agreement with the experimental measurements. The effective valence of Ce in Ce2Ni12P5 determined based on the Ce LIII absorption spectrum is ϑeff ∼ 3.05.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
期刊最新文献
Mentorship in academic musculoskeletal radiology: perspectives from a junior faculty member. Underlying synovial sarcoma undiagnosed for more than 20 years in a patient with regional pain: a case report. Sacrococcygeal chordoma with spontaneous regression due to a large hemorrhagic component. Associations of cumulative voriconazole dose, treatment duration, and alkaline phosphatase with voriconazole-induced periostitis. Can the presence of SLAP-5 lesions be predicted by using the critical shoulder angle in traumatic anterior shoulder instability?
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1