许多同学会拿着打印出来的或者手机拍摄的XRD结果来找老师咨询遇到问题,他们往往一出口就是“老师,我的XRD图谱bla bla bla.....”,更重要的是,多数同学在测了XRD以后,会将结果形成图表放到文章里发表,我们也常看到文献里有人写“XRD图谱....”或“XRD spectrum”,那么今天要说的问题就是,XRD测试结果做成的曲线是称为"图"还是"谱"?这关乎你的文章是否有瑕疵的问题,不可不察。
其实这个问题也很简单,我们可以查一下spectrum这一词在物理领域的最早说法。查看wiki百科,里面清晰的写着下面这两段话:
In the 17th century, the word spectrum was introduced into optics by Isaac Newton, referring to the range of colors observed when white light was dispersed through a prism. Soon the term referred to a plot of light intensity or power as a function of frequency or wavelength, also known as a spectral density plot.
The term spectrum was expanded to apply to other waves, such as sound waves that could also be measured as a function of frequency, frequency spectrum and power spectrum of a signal. The term now applies to any signal that can be measured or decomposed along a continuous variable such as energy in electron spectroscopy or mass-to-charge ratio in mass spectrometry. Spectrum is also used to refer to a graphical representation of the signal as a function of the dependent variable. (from https://en.wikipedia.org/wiki/Spectrum)
可见,最早“spectrum”是指光强和频率或波长的关系,后来“spectrum”才被扩展到其他是能量或荷质比函数的连续变量。
由于XRD数据中,衍射强度是d值(或者2theta,sin(theta),Q等)的函数,他们均为空间尺寸相关的量,因此XRD结果图准确的叫法应该是“图案”或“pattern”,而不是"谱",只是现在文献里使用"谱"的越来越多,逐渐有了约定用法的趋势。其实,最早的X射线衍射的结果也确实是拍出的照片,对衍射图案进行分析才得出材料的具体结构。
常见的其他实验结果,通常只要是和频率或者能量相关的,一般都可称为“谱”。比如,X射线荧光光谱,X射线光电子能谱,核磁共振,拉曼光谱........等。
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