{"title":"没有自旋态转变的菱铁矿(FeCO3)中声激波诱导的非畸变到畸变型相变:x射线衍射和拉曼光谱方法","authors":"Sivakumar Aswathappa , Lidong Dai , Sahaya Jude Dhas Sathiyadhas , Raju Suresh Kumar","doi":"10.1016/j.saa.2025.126234","DOIUrl":null,"url":null,"abstract":"<div><div>At the beginning of the 21st century, tabletop shock tubes were introduced in dealing with the condensed matter research covering materials of various dimensions ranging from nano to macro such that their structural stabilities have been investigated under extreme-conditions which have flourished in the recent past gaining tremendous amount of interest from material scientists and mineralogist thereby the obtained spectral outcomes in structural transitions aspects have sparked considerable impact. However, to date, a systematic correlation between the acoustic shock-wave impact and static compression experimental results has not been arrived at efficiently. Hence, a lot of experimental results are highly required to gain a better understanding of these two techniques. In the present work, we report the crystallographic structural stability of siderite (FeCO<sub>3</sub>) single crystal under acoustic shocked-conditions with a transient shock pressure of 2.0 MPa by <em>ex-situ</em> mode. The impact of shock waves has been examined by X-ray diffraction and Raman spectroscopic techniques. From the analyzed diffraction results, it is observed that the onset of non-distortion-to-distortion type phase-transition has occurred at the 4th shocked condition without any spin transition of Fe<sup>2+</sup>. Raman spectral results also have come up with similar outcomes by the reduction of the peak symmetry of the A<em><sub>1g</sub></em> Raman band and band splitting of the lattice T-mode. Note that, under static-compression (Zang <em>et al</em>., Geosci. Front. 16 (2025) 101918), the peak symmetry of the A<em><sub>1g</sub></em> Raman band remains constant up to 16.9 GPa. The singlet of the lattice T-mode remains the same up to 7.1 GPa and it is converted into a doublet band at 10.4 GPa. From the observed results, it is clear that the acoustic shock waves can initiate significant lattice deformations and transitions with a very low transit pressure. Hence, we strongly believe that the acoustic shock wave experiments on minerals can bring out a lot of new implications about the structural stability aspects under static and dynamic loading conditions which will be an open source to comprehend many more new minerals in the upcoming years.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"339 ","pages":"Article 126234"},"PeriodicalIF":4.3000,"publicationDate":"2025-04-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Acoustic shock wave-induced onset non-distortion-to-distortion type phase transition in siderite (FeCO3) with the absence of spin-state transition: X-ray diffraction and Raman spectroscopic approach\",\"authors\":\"Sivakumar Aswathappa , Lidong Dai , Sahaya Jude Dhas Sathiyadhas , Raju Suresh Kumar\",\"doi\":\"10.1016/j.saa.2025.126234\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>At the beginning of the 21st century, tabletop shock tubes were introduced in dealing with the condensed matter research covering materials of various dimensions ranging from nano to macro such that their structural stabilities have been investigated under extreme-conditions which have flourished in the recent past gaining tremendous amount of interest from material scientists and mineralogist thereby the obtained spectral outcomes in structural transitions aspects have sparked considerable impact. However, to date, a systematic correlation between the acoustic shock-wave impact and static compression experimental results has not been arrived at efficiently. Hence, a lot of experimental results are highly required to gain a better understanding of these two techniques. In the present work, we report the crystallographic structural stability of siderite (FeCO<sub>3</sub>) single crystal under acoustic shocked-conditions with a transient shock pressure of 2.0 MPa by <em>ex-situ</em> mode. The impact of shock waves has been examined by X-ray diffraction and Raman spectroscopic techniques. From the analyzed diffraction results, it is observed that the onset of non-distortion-to-distortion type phase-transition has occurred at the 4th shocked condition without any spin transition of Fe<sup>2+</sup>. Raman spectral results also have come up with similar outcomes by the reduction of the peak symmetry of the A<em><sub>1g</sub></em> Raman band and band splitting of the lattice T-mode. Note that, under static-compression (Zang <em>et al</em>., Geosci. Front. 16 (2025) 101918), the peak symmetry of the A<em><sub>1g</sub></em> Raman band remains constant up to 16.9 GPa. The singlet of the lattice T-mode remains the same up to 7.1 GPa and it is converted into a doublet band at 10.4 GPa. From the observed results, it is clear that the acoustic shock waves can initiate significant lattice deformations and transitions with a very low transit pressure. Hence, we strongly believe that the acoustic shock wave experiments on minerals can bring out a lot of new implications about the structural stability aspects under static and dynamic loading conditions which will be an open source to comprehend many more new minerals in the upcoming years.</div></div>\",\"PeriodicalId\":433,\"journal\":{\"name\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"volume\":\"339 \",\"pages\":\"Article 126234\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2025-04-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1386142525005402\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525005402","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
引用次数: 0
摘要
在21世纪初,桌面激波管被引入到凝聚态研究中,涵盖了从纳米到宏观的各种尺寸的材料,在极端条件下研究了它们的结构稳定性,这在最近的过去已经蓬勃发展,获得了材料科学家和矿物学家的巨大兴趣,因此在结构转变方面获得的光谱结果引发了相当大的影响。然而,迄今为止,声冲击波冲击与静压缩实验结果之间的系统关联还没有得到有效的解决。因此,为了更好地理解这两种技术,需要大量的实验结果。本文报道了在瞬态冲击压力为2.0 MPa的声冲击条件下,非原位模式下菱铁矿(FeCO3)单晶的晶体结构稳定性。冲击波的影响已经通过x射线衍射和拉曼光谱技术进行了研究。从分析的衍射结果可以看出,在没有Fe2+自旋跃迁的情况下,在第4激波条件下发生了非畸变型到畸变型的相变。拉曼光谱结果也通过降低A1g拉曼带的峰值对称性和晶格t模的带分裂得到了类似的结果。注意,在静态压缩下(Zang et al., Geosci。锋面16 (2025)101918),A1g拉曼带的峰对称性保持恒定,直至16.9 GPa。晶格t模式的单线态在7.1 GPa时保持不变,在10.4 GPa时转变为双线态。从观察结果来看,很明显,声激波可以在非常低的传递压力下引发显著的晶格变形和转变。因此,我们坚信声激波对矿物的实验可以在静态和动态载荷条件下对结构稳定性方面带来许多新的启示,这将为未来几年了解更多的新矿物提供开放的来源。
Acoustic shock wave-induced onset non-distortion-to-distortion type phase transition in siderite (FeCO3) with the absence of spin-state transition: X-ray diffraction and Raman spectroscopic approach
At the beginning of the 21st century, tabletop shock tubes were introduced in dealing with the condensed matter research covering materials of various dimensions ranging from nano to macro such that their structural stabilities have been investigated under extreme-conditions which have flourished in the recent past gaining tremendous amount of interest from material scientists and mineralogist thereby the obtained spectral outcomes in structural transitions aspects have sparked considerable impact. However, to date, a systematic correlation between the acoustic shock-wave impact and static compression experimental results has not been arrived at efficiently. Hence, a lot of experimental results are highly required to gain a better understanding of these two techniques. In the present work, we report the crystallographic structural stability of siderite (FeCO3) single crystal under acoustic shocked-conditions with a transient shock pressure of 2.0 MPa by ex-situ mode. The impact of shock waves has been examined by X-ray diffraction and Raman spectroscopic techniques. From the analyzed diffraction results, it is observed that the onset of non-distortion-to-distortion type phase-transition has occurred at the 4th shocked condition without any spin transition of Fe2+. Raman spectral results also have come up with similar outcomes by the reduction of the peak symmetry of the A1g Raman band and band splitting of the lattice T-mode. Note that, under static-compression (Zang et al., Geosci. Front. 16 (2025) 101918), the peak symmetry of the A1g Raman band remains constant up to 16.9 GPa. The singlet of the lattice T-mode remains the same up to 7.1 GPa and it is converted into a doublet band at 10.4 GPa. From the observed results, it is clear that the acoustic shock waves can initiate significant lattice deformations and transitions with a very low transit pressure. Hence, we strongly believe that the acoustic shock wave experiments on minerals can bring out a lot of new implications about the structural stability aspects under static and dynamic loading conditions which will be an open source to comprehend many more new minerals in the upcoming years.
期刊介绍:
Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science.
The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments.
Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate.
Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to:
Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences,
Novel experimental techniques or instrumentation for molecular spectroscopy,
Novel theoretical and computational methods,
Novel applications in photochemistry and photobiology,
Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.