{"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":"40 1","pages":""},"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}
引用次数: 0
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.
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