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A new method of determining lattice parameters by peak fitting of X-ray diffraction pattern, without involving structure parameters, is introduced. The method can be applied to a single phase and one phase in multi-phase diffraction patterns. It can avoid getting different fitting results caused by using different extrapolation functions, and can get a more accurate result in a short time. The application program of the method has been used in the practical work. For improving the fitting accuracy, the program can also adjust off-axis deviation of the sample surface and the goniometric mechanical zero.
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Keywords:
- X-ray diffraction /
- peak fitting /
- lattice parameter
[1] Wang Q X, Yang J R, Sun T, Wei Y F, Fang W Z, He L 2005 Acta Phys. Sin. 54 3726 (in Chinese) [王庆学、杨建荣、孙 涛、魏彦锋、方维政、何 力 2005 54 3726]
[2] [3] Liu T, Tan S L, Zhang H, Qin Y, Zhang P X 2008 Acta Phys. Sin. 57 4424 (in Chinese) [刘 婷、谈松林、张 辉、秦 毅、张鹏翔 2008 57 4424]
[4] Chen Z, Chen C L, Wen X L, Wen J 2008 Acta Phys. Sin. 57 6277 (in Chinese) [陈 钊、陈长乐、温晓莉、文 军 2008 57 6277]
[5] [6] Liao L B, Li G W 2008 X-ray Diffraction Method and Their Application (Beijing: Geological Publishing House) p93 (in Chinese) [廖立冰、李国武 2008 X 射线衍射方法与应用 (北京: 地质出版社) 第93页]
[7] [8] Wang Y H 1993 Elements of X-ray Diffraction Technology (Beijing: Atomic Energy Press) p212 (in Chinese)[王英华 1993 X光衍射技术基础 (北京: 原子能出版社) 第212页]
[9] [10] Popvic S 1973 J. Appl. Crys. 6 122
[11] [12] [13] Guo C L, Ma L T 1982 Chin. Sci. Bull. 27 467 (in Chinese) [郭常霖、马利泰 1982 科学通报 27 467]
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[1] Wang Q X, Yang J R, Sun T, Wei Y F, Fang W Z, He L 2005 Acta Phys. Sin. 54 3726 (in Chinese) [王庆学、杨建荣、孙 涛、魏彦锋、方维政、何 力 2005 54 3726]
[2] [3] Liu T, Tan S L, Zhang H, Qin Y, Zhang P X 2008 Acta Phys. Sin. 57 4424 (in Chinese) [刘 婷、谈松林、张 辉、秦 毅、张鹏翔 2008 57 4424]
[4] Chen Z, Chen C L, Wen X L, Wen J 2008 Acta Phys. Sin. 57 6277 (in Chinese) [陈 钊、陈长乐、温晓莉、文 军 2008 57 6277]
[5] [6] Liao L B, Li G W 2008 X-ray Diffraction Method and Their Application (Beijing: Geological Publishing House) p93 (in Chinese) [廖立冰、李国武 2008 X 射线衍射方法与应用 (北京: 地质出版社) 第93页]
[7] [8] Wang Y H 1993 Elements of X-ray Diffraction Technology (Beijing: Atomic Energy Press) p212 (in Chinese)[王英华 1993 X光衍射技术基础 (北京: 原子能出版社) 第212页]
[9] [10] Popvic S 1973 J. Appl. Crys. 6 122
[11] [12] [13] Guo C L, Ma L T 1982 Chin. Sci. Bull. 27 467 (in Chinese) [郭常霖、马利泰 1982 科学通报 27 467]
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