Structural phase transition and physical properties in NaBr under high pressure

IF 2.6 3区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Physics Letters A Pub Date : 2025-04-05 Epub Date: 2025-02-12 DOI:10.1016/j.physleta.2025.130351
Wenming Qi , Wei Xu , Hadiqam Abdugopur , Guihua Lu , Lai Wei , Peng Li , Min Gao
{"title":"Structural phase transition and physical properties in NaBr under high pressure","authors":"Wenming Qi ,&nbsp;Wei Xu ,&nbsp;Hadiqam Abdugopur ,&nbsp;Guihua Lu ,&nbsp;Lai Wei ,&nbsp;Peng Li ,&nbsp;Min Gao","doi":"10.1016/j.physleta.2025.130351","DOIUrl":null,"url":null,"abstract":"<div><div>The simple cubic structure and highly ionic bonding characteristics of Alkali halide NaBr have garnered significant attention in the field of fundamental physics. Previous X-ray diffraction studies revealed a phase transition from B1 to B33 phase in NaBr under pressure. However, the experimental determination of the phase transition pressure suffered from large errors due to the absence of a pressure transfer medium and high-water absorption in NaBr samples. To overcome these limitations, we employ DFT calculations to investigate the phase transition behavior of NaBr up to 40 GPa. Our theoretical analysis reveals a “first-order” phase transition at 25 GPa and provides comprehensive insights into the pressure-dependent physical properties.</div></div>","PeriodicalId":20172,"journal":{"name":"Physics Letters A","volume":"538 ","pages":"Article 130351"},"PeriodicalIF":2.6000,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Physics Letters A","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0375960125001318","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/2/12 0:00:00","PubModel":"Epub","JCR":"Q2","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0

Abstract

The simple cubic structure and highly ionic bonding characteristics of Alkali halide NaBr have garnered significant attention in the field of fundamental physics. Previous X-ray diffraction studies revealed a phase transition from B1 to B33 phase in NaBr under pressure. However, the experimental determination of the phase transition pressure suffered from large errors due to the absence of a pressure transfer medium and high-water absorption in NaBr samples. To overcome these limitations, we employ DFT calculations to investigate the phase transition behavior of NaBr up to 40 GPa. Our theoretical analysis reveals a “first-order” phase transition at 25 GPa and provides comprehensive insights into the pressure-dependent physical properties.
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
高压下NaBr的结构相变和物理性质
碱卤化物NaBr具有简单的立方结构和高离子键特性,在基础物理领域引起了广泛的关注。先前的x射线衍射研究表明,NaBr在压力下从B1相转变为B33相。然而,由于NaBr样品中缺乏压力传递介质和高吸水率,相变压力的实验测定误差较大。为了克服这些限制,我们使用DFT计算来研究高达40 GPa的NaBr的相变行为。我们的理论分析揭示了25 GPa时的“一阶”相变,并提供了对压力相关物理性质的全面见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
Physics Letters A
Physics Letters A 物理-物理:综合
CiteScore
5.10
自引率
3.80%
发文量
493
审稿时长
30 days
期刊介绍: Physics Letters A offers an exciting publication outlet for novel and frontier physics. It encourages the submission of new research on: condensed matter physics, theoretical physics, nonlinear science, statistical physics, mathematical and computational physics, general and cross-disciplinary physics (including foundations), atomic, molecular and cluster physics, plasma and fluid physics, optical physics, biological physics and nanoscience. No articles on High Energy and Nuclear Physics are published in Physics Letters A. The journal''s high standard and wide dissemination ensures a broad readership amongst the physics community. Rapid publication times and flexible length restrictions give Physics Letters A the edge over other journals in the field.
期刊最新文献
Metrological performance of multi-qubit X states in the one-axis twist-and-turn model Angle adjustable selectivity surface based on Fabry–Pérot cavity and frequency selective surfaces Ultrahigh thermoelectric performance in LaX (X = N, P, As) monolayers with negative Poisson’s ratio Observation of flexural fractional Talbot effects Anisotropic cyclic cosmology in f(T) gravity: A Bianchi type-II framework for periodic big bang big crunch evolution
×
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:604180095
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