{"title":"Short-range order structural response of CdSe nanocrystals under 120 MeV swift heavy ions irradiation: A pair distribution function analysis","authors":"","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":null,"pages":null},"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}
引用次数: 0
Abstract
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.
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。
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