{"title":"基于里特维尔德精炼法的 CrN 原子热振动分析","authors":"Ruigang Wang, Zepeng Liu, Xianglian, Yong Sun, Wei Xia","doi":"10.1002/pssb.202300195","DOIUrl":null,"url":null,"abstract":"The crystal structure of chromium nitride (CrN) is studied by X‐Ray diffraction from 25 to 600 °C. Based on the RIETAN‐2000 program of Rietveld refinement method, the experimental results are analyzed, and the crystal structure parameters of CrN powder crystals at different temperatures are refined. Atomic thermal vibration isotropic temperature factor B is directly obtained by the Rietveld refinement method. Using the maximum entropy method analytical procedure, the 3D and planar isoheight nuclear density distribution characteristics of CrN are derived, realizing the visualization of nuclear density distribution. It can help to calculate the thermal diffuse scattering.","PeriodicalId":20107,"journal":{"name":"physica status solidi (b)","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2023-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Analysis of Atomic Thermal Vibration of CrN Based on Rietveld Refinement Method\",\"authors\":\"Ruigang Wang, Zepeng Liu, Xianglian, Yong Sun, Wei Xia\",\"doi\":\"10.1002/pssb.202300195\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The crystal structure of chromium nitride (CrN) is studied by X‐Ray diffraction from 25 to 600 °C. Based on the RIETAN‐2000 program of Rietveld refinement method, the experimental results are analyzed, and the crystal structure parameters of CrN powder crystals at different temperatures are refined. Atomic thermal vibration isotropic temperature factor B is directly obtained by the Rietveld refinement method. Using the maximum entropy method analytical procedure, the 3D and planar isoheight nuclear density distribution characteristics of CrN are derived, realizing the visualization of nuclear density distribution. It can help to calculate the thermal diffuse scattering.\",\"PeriodicalId\":20107,\"journal\":{\"name\":\"physica status solidi (b)\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2023-12-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"physica status solidi (b)\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1002/pssb.202300195\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"physica status solidi (b)","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1002/pssb.202300195","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
利用 X 射线衍射法研究了氮化铬（CrN）在 25 至 600 ℃ 的晶体结构。基于 Rietveld 精炼方法的 RIETAN-2000 程序，对实验结果进行分析，并精炼出不同温度下 CrN 粉末晶体的晶体结构参数。原子热振动各向同性温度因子 B 可通过里特维尔德精炼法直接获得。利用最大熵法分析程序，得出了 CrN 的三维和平面等高核密度分布特征，实现了核密度分布的可视化。它有助于计算热扩散散射。
Analysis of Atomic Thermal Vibration of CrN Based on Rietveld Refinement Method
The crystal structure of chromium nitride (CrN) is studied by X‐Ray diffraction from 25 to 600 °C. Based on the RIETAN‐2000 program of Rietveld refinement method, the experimental results are analyzed, and the crystal structure parameters of CrN powder crystals at different temperatures are refined. Atomic thermal vibration isotropic temperature factor B is directly obtained by the Rietveld refinement method. Using the maximum entropy method analytical procedure, the 3D and planar isoheight nuclear density distribution characteristics of CrN are derived, realizing the visualization of nuclear density distribution. It can help to calculate the thermal diffuse scattering.
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