{"title":"CdSe 纳米晶体在 120 MeV 迅猛重离子辐照下的短程有序结构响应：对分布函数分析","authors":"Debojyoti Nath , Ratan Das","doi":"10.1016/j.mtla.2024.102214","DOIUrl":null,"url":null,"abstract":"<div><p>Swift heavy ion (SHI) irradiation deposits large amount of energy in the target material which thereby influences the structural features of the sample. In this work, the structural response of CdSe material has been studied under high energetic 120 MeV SHI irradiation. The long-range structural modifications of CdSe under SHI have been analyzed using Rietveld study. On the other hand, the short-range behavior of SHI irradiated CdSe has been studied using Pair distribution function (PDF), which can be interpreted as a distance map between two atoms in terms of a PDF peak. The small-box structural refinement of the samples has been performed using the PDFgui package for the study of modifications in the atomic arrangement after the SHI irradiation. In addition to this, structural characteristics such as unit cell parameters as determined from long-range (Rietveld) refinement are compared to that obtained from short-range (small-box) refinement. Moreover, atomic displacement factor for CdSe also has been determined to study the atomic disorder in the nanocrystal under the influence SHI irradiation. Finally, impact of SHI induced stress generated on the CdSe sample and its influence also has been studied based on the width of the PDF peak.</p></div>","PeriodicalId":47623,"journal":{"name":"Materialia","volume":"37 ","pages":"Article 102214"},"PeriodicalIF":3.0000,"publicationDate":"2024-08-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Short-range order structural response of CdSe nanocrystals under 120 MeV swift heavy ions irradiation: A pair distribution function analysis\",\"authors\":\"Debojyoti Nath , Ratan Das\",\"doi\":\"10.1016/j.mtla.2024.102214\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Swift heavy ion (SHI) irradiation deposits large amount of energy in the target material which thereby influences the structural features of the sample. In this work, the structural response of CdSe material has been studied under high energetic 120 MeV SHI irradiation. The long-range structural modifications of CdSe under SHI have been analyzed using Rietveld study. On the other hand, the short-range behavior of SHI irradiated CdSe has been studied using Pair distribution function (PDF), which can be interpreted as a distance map between two atoms in terms of a PDF peak. The small-box structural refinement of the samples has been performed using the PDFgui package for the study of modifications in the atomic arrangement after the SHI irradiation. In addition to this, structural characteristics such as unit cell parameters as determined from long-range (Rietveld) refinement are compared to that obtained from short-range (small-box) refinement. Moreover, atomic displacement factor for CdSe also has been determined to study the atomic disorder in the nanocrystal under the influence SHI irradiation. Finally, impact of SHI induced stress generated on the CdSe sample and its influence also has been studied based on the width of the PDF peak.</p></div>\",\"PeriodicalId\":47623,\"journal\":{\"name\":\"Materialia\",\"volume\":\"37 \",\"pages\":\"Article 102214\"},\"PeriodicalIF\":3.0000,\"publicationDate\":\"2024-08-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Materialia\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2589152924002114\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materialia","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2589152924002114","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
快速重离子（SHI）辐照会在目标材料中沉积大量能量，从而影响样品的结构特征。在这项工作中，研究了硒化镉材料在 120 MeV SHI 高能辐照下的结构响应。利用里特维尔德研究分析了碲化镉在 SHI 照射下的长程结构变化。另一方面，利用配位分布函数（PDF）研究了 SHI 照射下硒化镉的短程行为。使用 PDFgui 软件包对样品进行了小盒子结构细化，以研究 SHI 照射后原子排列的变化。此外，还将长程（Rietveld）细化确定的单胞参数等结构特征与短程（小盒）细化获得的单胞参数进行了比较。此外，还测定了碲化镉的原子位移因子，以研究在 SHI 照射影响下纳米晶体中的原子无序性。最后，还根据 PDF 峰的宽度研究了 SHI 诱导的应力对硒化镉样品的影响。
Short-range order structural response of CdSe nanocrystals under 120 MeV swift heavy ions irradiation: A pair distribution function analysis
Swift heavy ion (SHI) irradiation deposits large amount of energy in the target material which thereby influences the structural features of the sample. In this work, the structural response of CdSe material has been studied under high energetic 120 MeV SHI irradiation. The long-range structural modifications of CdSe under SHI have been analyzed using Rietveld study. On the other hand, the short-range behavior of SHI irradiated CdSe has been studied using Pair distribution function (PDF), which can be interpreted as a distance map between two atoms in terms of a PDF peak. The small-box structural refinement of the samples has been performed using the PDFgui package for the study of modifications in the atomic arrangement after the SHI irradiation. In addition to this, structural characteristics such as unit cell parameters as determined from long-range (Rietveld) refinement are compared to that obtained from short-range (small-box) refinement. Moreover, atomic displacement factor for CdSe also has been determined to study the atomic disorder in the nanocrystal under the influence SHI irradiation. Finally, impact of SHI induced stress generated on the CdSe sample and its influence also has been studied based on the width of the PDF peak.
期刊介绍：
Materialia is a multidisciplinary journal of materials science and engineering that publishes original peer-reviewed research articles. Articles in Materialia advance the understanding of the relationship between processing, structure, property, and function of materials.
Materialia publishes full-length research articles, review articles, and letters (short communications). In addition to receiving direct submissions, Materialia also accepts transfers from Acta Materialia, Inc. partner journals. Materialia offers authors the choice to publish on an open access model (with author fee), or on a subscription model (with no author fee).
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