Sunday, 1 January 2017

XRD d value Calculator

Calculation Tutorial:

STEP1: Open the XRD graph of the material, which is obtained from the instrument. Raw HTML 2 Theta I n t e n s i t y 20 25 30 35 40 45 0 1000 2000 3000 4000 5000 STEP2: Now zoom on the area for which you want to calculate the d value and note down the angle at which peak is shown. Raw HTML 2 Theta I n t e n s i t y 20 25 30 35 40 45 0 1000 2000 3000 4000 5000 31.8 STEP3: Now enter the measured Peak Position (i.e. 31.8 degree) in "Peak Position (2 Theta)" column of the calculator. You should get the calculated results of the d value in the "Calculated Result" field.

NOTE: Default value of wavelength of LASER is set is 0.15418, which is mostly used in the instruments; and Order of Reflection is 1. You can also change these values as your desire if you want.

Theory Behind Calculations: X-Rays are having wavelength between 0.01nm to 10nm. Hence X-Rays can penetrate inside the crystal structure of any material very easily; and tells us the properties of material while coming out from that material. Which is why X-Ray spectroscopy is very useful technique for characterization of different types of materials.

Bragg's Law:

Order of Reflection (n) × Wavelength (λ) = 2 × Interplanar spacing (d) × Sinθ

So, Interplanar spacing can be calculated easily from the formula as:

Interplanar spacing (d) = Order of Reflection (n) × Wavelength (λ) / 2 × Sinθ