Prakriti Kayastha, Erik Fransson, Paul Erhart, Lucy Whalley
{"title":"Correction to “Octahedral Tilt-Driven Phase Transitions in BaZrS3 Chalcogenide Perovskite”","authors":"Prakriti Kayastha, Erik Fransson, Paul Erhart, Lucy Whalley","doi":"10.1021/acs.jpclett.5c00978","DOIUrl":null,"url":null,"abstract":"Correction to <i>Octahedral Tilt-Driven Phase Transitions in</i> <i>BaZrS</i><sub>3</sub> <i>Chalcogenide</i>. Published in <cite><i>The Journal of Physical Chemistry\nLetters</i></cite> <span>2025</span>, <em>16</em>(8), 2064–2071. The placements of the inset crystal structures in Figure 1a and Figure 1b are incorrect. They should be displayed as shown in the corrected Figure 1 below. Figure 1. DFT-calculated crystal and phonon band structures of the (a) orthorhombic <i>Pnma</i> (b) and cubic <i>Pm</i>3̅<i>m</i> phases. Green, gray, and yellow spheres represent Ba, Zr, and S atoms, respectively. In the Discussion we have misspelt an author name; the in-text citation to Reference 32 should read “Jaiswal et al.”. This article has not yet been cited by other publications.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"17 1","pages":""},"PeriodicalIF":4.6000,"publicationDate":"2025-04-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry Letters","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpclett.5c00978","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Correction to Octahedral Tilt-Driven Phase Transitions inBaZrS3Chalcogenide. Published in The Journal of Physical Chemistry
Letters2025, 16(8), 2064–2071. The placements of the inset crystal structures in Figure 1a and Figure 1b are incorrect. They should be displayed as shown in the corrected Figure 1 below. Figure 1. DFT-calculated crystal and phonon band structures of the (a) orthorhombic Pnma (b) and cubic Pm3̅m phases. Green, gray, and yellow spheres represent Ba, Zr, and S atoms, respectively. In the Discussion we have misspelt an author name; the in-text citation to Reference 32 should read “Jaiswal et al.”. This article has not yet been cited by other publications.
BaZrS3硫属化合物八面体倾斜驱动相变的修正。发表于物理化学学报,2025,16(8),2064-2071。图1a和图1b中插入晶体结构的位置不正确。它们应该显示如下面的更正后的图1所示。图1所示。dft计算了(a)正交Pnma (b)和立方pm3_m相的晶体和声子带结构。绿色、灰色和黄色球体分别代表Ba、Zr和S原子。在讨论中,我们拼错了一个作者的名字;参考文献32的正文引文应该是“Jaiswal et al.”。这篇文章尚未被其他出版物引用。
期刊介绍:
The Journal of Physical Chemistry (JPC) Letters is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, chemical physicists, physicists, material scientists, and engineers. An important criterion for acceptance is that the paper reports a significant scientific advance and/or physical insight such that rapid publication is essential. Two issues of JPC Letters are published each month.