夹层氢化物中零维间隙电子诱导的自旋轨道耦合狄拉克态

IF 11.1 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
Weizhen Meng, Jiayu Jiang, Yalong Jiao, Fengxian Ma, Ying Yang, Zhenxiang Cheng, Xiaotian Wang
{"title":"夹层氢化物中零维间隙电子诱导的自旋轨道耦合狄拉克态","authors":"Weizhen Meng, Jiayu Jiang, Yalong Jiao, Fengxian Ma, Ying Yang, Zhenxiang Cheng, Xiaotian Wang","doi":"10.1002/smsc.202400131","DOIUrl":null,"url":null,"abstract":"The development of inorganic electrides offers new possibilities for studying topological states due to the nonnuclear-binding properties displayed by interstitial electrons. Herein, a sandwich electride 2[CaCl]<sup>+</sup>:2e<sup>−</sup> is designed, featuring a tetragonal lattice structure, including two atomic lattice layers and one interstitial electron layer. The interstitial electrons form nonsymmorphic-symmetry-protected Dirac points (DPs) at the X and M points, which are robust against the spin–orbit coupling effect. DPs exhibit an approximately elliptical shape, characterized by a relatively high anisotropy, resulting from the interplay between the electron and atomic layers. In addition, 2[CaCl]<sup>+</sup>:2e<sup>−</sup> possesses a lower work function (WF) (3.43 eV), endowing it with robust electron-supplying characteristics. Due to the low WF and interstitial electrons, 2[CaCl]<sup>+</sup>:2e<sup>−</sup> loaded Ru shows outstanding catalytic performance for N<sub>2</sub> cleavage. A potential research platform for exploring the formation of topological states and promoting nitrogen cracking in electrides is provided.","PeriodicalId":29791,"journal":{"name":"Small Science","volume":"24 1","pages":""},"PeriodicalIF":11.1000,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Zero-Dimensional Interstitial Electron-Induced Spin–Orbit Coupling Dirac States in Sandwich Electride\",\"authors\":\"Weizhen Meng, Jiayu Jiang, Yalong Jiao, Fengxian Ma, Ying Yang, Zhenxiang Cheng, Xiaotian Wang\",\"doi\":\"10.1002/smsc.202400131\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The development of inorganic electrides offers new possibilities for studying topological states due to the nonnuclear-binding properties displayed by interstitial electrons. Herein, a sandwich electride 2[CaCl]<sup>+</sup>:2e<sup>−</sup> is designed, featuring a tetragonal lattice structure, including two atomic lattice layers and one interstitial electron layer. The interstitial electrons form nonsymmorphic-symmetry-protected Dirac points (DPs) at the X and M points, which are robust against the spin–orbit coupling effect. DPs exhibit an approximately elliptical shape, characterized by a relatively high anisotropy, resulting from the interplay between the electron and atomic layers. In addition, 2[CaCl]<sup>+</sup>:2e<sup>−</sup> possesses a lower work function (WF) (3.43 eV), endowing it with robust electron-supplying characteristics. Due to the low WF and interstitial electrons, 2[CaCl]<sup>+</sup>:2e<sup>−</sup> loaded Ru shows outstanding catalytic performance for N<sub>2</sub> cleavage. A potential research platform for exploring the formation of topological states and promoting nitrogen cracking in electrides is provided.\",\"PeriodicalId\":29791,\"journal\":{\"name\":\"Small Science\",\"volume\":\"24 1\",\"pages\":\"\"},\"PeriodicalIF\":11.1000,\"publicationDate\":\"2024-07-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Small Science\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1002/smsc.202400131\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Small Science","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1002/smsc.202400131","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

摘要

由于间隙电子具有非核结合特性,无机电化物的发展为研究拓扑状态提供了新的可能性。在这里,我们设计了一种夹层电化物 2[CaCl]+:2e-,它具有四方晶格结构,包括两个原子晶格层和一个间隙电子层。间隙电子在 X 点和 M 点形成非非晶态对称保护的狄拉克点(DP),对自旋轨道耦合效应有很强的抵抗力。DPs呈现近似椭圆的形状,其特点是各向异性相对较高,这是电子层和原子层之间相互作用的结果。此外,2[CaCl]+:2e- 具有较低的功函数(WF)(3.43 eV),使其具有强大的电子供应特性。由于低功函数和间隙电子,2[CaCl]+:2e-负载的 Ru 在 N2 裂解过程中表现出卓越的催化性能。这为探索拓扑态的形成和促进电氧化物中的氮裂解提供了一个潜在的研究平台。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Zero-Dimensional Interstitial Electron-Induced Spin–Orbit Coupling Dirac States in Sandwich Electride

Zero-Dimensional Interstitial Electron-Induced Spin–Orbit Coupling Dirac States in Sandwich Electride
The development of inorganic electrides offers new possibilities for studying topological states due to the nonnuclear-binding properties displayed by interstitial electrons. Herein, a sandwich electride 2[CaCl]+:2e is designed, featuring a tetragonal lattice structure, including two atomic lattice layers and one interstitial electron layer. The interstitial electrons form nonsymmorphic-symmetry-protected Dirac points (DPs) at the X and M points, which are robust against the spin–orbit coupling effect. DPs exhibit an approximately elliptical shape, characterized by a relatively high anisotropy, resulting from the interplay between the electron and atomic layers. In addition, 2[CaCl]+:2e possesses a lower work function (WF) (3.43 eV), endowing it with robust electron-supplying characteristics. Due to the low WF and interstitial electrons, 2[CaCl]+:2e loaded Ru shows outstanding catalytic performance for N2 cleavage. A potential research platform for exploring the formation of topological states and promoting nitrogen cracking in electrides is provided.
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
CiteScore
14.00
自引率
2.40%
发文量
0
期刊介绍: Small Science is a premium multidisciplinary open access journal dedicated to publishing impactful research from all areas of nanoscience and nanotechnology. It features interdisciplinary original research and focused review articles on relevant topics. The journal covers design, characterization, mechanism, technology, and application of micro-/nanoscale structures and systems in various fields including physics, chemistry, materials science, engineering, environmental science, life science, biology, and medicine. It welcomes innovative interdisciplinary research and its readership includes professionals from academia and industry in fields such as chemistry, physics, materials science, biology, engineering, and environmental and analytical science. Small Science is indexed and abstracted in CAS, DOAJ, Clarivate Analytics, ProQuest Central, Publicly Available Content Database, Science Database, SCOPUS, and Web of Science.
×
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
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
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 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信