Understanding Modified Bragg's Law: A Guide with Derivation and Examples

In summary, the x-ray data booklet gives a modified Bragg's Law that seems to be a combination of Snell's and Braggs. I'll post a picture of what this looks like. I've tried combining the two equations and coming up with their answer but can't get a solid derivation. Any help or a point toward a derivation would be awesome. Thanks!
  • #1
saybrook1
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Hi guys, the x-ray data booklet gives a modified Bragg's Law that seems to be a combination of Snell's and Braggs. I'll post a picture of what this looks like. I've tried combining the two equations and coming up with their answer but can't get a solid derivation. Any help or a point toward a derivation would be awesome. Thanks!

http://imgur.com/a/CvUGz

http://imgur.com/a/CvUGz
 
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  • #2
saybrook1 said:
Hi guys, the x-ray data booklet gives a modified Bragg's Law that seems to be a combination of Snell's and Braggs. I'll post a picture of what this looks like. I've tried combining the two equations and coming up with their answer but can't get a solid derivation. Any help or a point toward a derivation would be awesome. Thanks!

http://imgur.com/a/CvUGz

[PLAIN]http://imgur.com/a/CvUGz[/QUOTE]

I would really like to know where this correction comes from.
 
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  • #3
I get something similar, but a couple of corrections. I don't know if my calculations are correct, but I can show you what I got.
One problem with the Bragg equation is the ## \theta ## is not measured from the normal to the surface. In the following derivation, I will use ## \theta ## as from the normal, and ## \theta ' ## as measured from the surface. The index "n" is assumed to be approximately 1 but is assumed to be ## n=1+\delta ##. (This is one of two places where I don't agree completely with what they stated.) ## \\ ## Beginning with ## 2nd cos(\theta_r)=m \lambda ## for constructive interference, and using Snell's law ## n sin(\theta_r)=sin(\theta_i) ##, then ## sin(\theta_r)=sin(\theta_i)/n ##. Also ## sin(\theta_i ')=cos(\theta_i) ## which will be used momentarily. We have ## cos(\theta_r)=(1-(sin(\theta_i)/n)^2)^{1/2} ##so that ## n cos(\theta_r)=(n^2-sin^2(\theta_i))^{1/2}=(n^2-1+1-sin^2(\theta_i))^{1/2}=(n^2-1+cos^2(\theta_i))^{1/2}=(n^2-1+sin^2(\theta_i '))^{1/2} ##Now expand with ## n^2-1=2 \delta ## (approximately)and ## sin(\theta_i ') ## being the larger term. This gives ## n cos(\theta_r)=sin(\theta_i ')(1+2 \delta/sin^2(\theta_i))^{1/2}=sin(\theta_i ')(1+\delta/sin^2(\theta_i ') ) ##. Now we have that ## 2d sin(\theta_i ')=m \lambda ## (Bragg's law without correction).So that ## sin^2(\theta_i ')=(m \lambda)^2/(4 d^2) ## . Putting it all together: ## \\ ## $$ 2d sin(\theta_i ')(1+4 d^2 \delta/(m \lambda)^2)=m \lambda $$. I will try to proofread my response carefully, but I think I have done it correctly. Note that I get a "+" sign for the correction part, not in concurrence with the attachment in the OP.
 
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  • #4
Charles Link said:
I get something similar, but a couple of corrections. I don't know if my calculations are correct, but I can show you what I got.
One problem with the Bragg equation is the ## \theta ## is not measured from the normal to the surface. In the following derivation, I will use ## \theta ## as from the normal, and ## \theta ' ## as measured from the surface. The index "n" is assumed to be approximately 1 but is assumed to be ## n=1+\delta ##. (This is one of two places where I don't agree completely with what they stated.) ## \\ ## Beginning with ## 2nd cos(\theta_r)=m \lambda ## for constructive interference, and using Snell's law ## n sin(\theta_r)=sin(\theta_i) ##, then ## sin(\theta_r)=sin(\theta_i)/n ##. Also ## sin(\theta_i ')=cos(\theta_i) ##. This gives ## cos(\theta_r)=(1-(sin(\theta_i)/n)^2)^{1/2} ##so that ## n cos(\theta_r)=(n^2-sin^2(\theta_i))^{1/2}=(n^2-1+1-sin^2(\theta_i))^{1/2}=(n^2-1+cos^2(\theta_i))^{1/2}=(n^2-1+sin^2(\theta_i '))^{1/2} ##Now expand with ## n^2-1=2 \delta ## (approximately)and ## sin(\theta_i ') ## being the larger term. This gives ## n cos(\theta_r)=sin(\theta_i ')(1+2 \delta/sin^2(\theta_i))^{1/2}=sin(\theta_i ')(1+\delta/sin^2(\theta_i ') ) ##. Now we have that ## 2d sin(\theta_i ')=m \lambda ## (Bragg's law without correction).So that ## sin^2(\theta_i ')=(m \lambda)^2/(4 d^2) ## . Putting it all together: ## \\ ## $$ 2d sin(\theta_i ')(1+4 d^2 \delta/(m \lambda)^2)=m \lambda $$. I will try to proofread my response carefully, but I think I have done it correctly. Note that I get a "+" sign for the correction part, not in concurrence with the attachment in the OP.
Oh wow, thanks a ton! This looks great.

So far I had this:

http://imgur.com/a/xJsHR

Lol not even close. This was my latest attempt at least. Tried a ton of different ways to make sense of this. I didn't consider the geometry enough.

Also, from your first form of the Bragg eqn, what happened to the 'n' term? Clearly, it's not part of the answer although I don't see where it disappears.
 
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  • #5
I edited it just a moment ago, (a minor change), but I might continue to update it if I see any additional typos, etc., so please look at my original post once more, etc.
 
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  • #6
Charles Link said:
I edited it just a moment ago, (a minor change), but I might continue to update it if I see any additional typos, etc., so please look at my original post once more, etc.

Cool, will do; Thanks again man!
 
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  • #7
saybrook1 said:
Oh wow, thanks a ton! This looks great.

So far I had this:

http://imgur.com/a/xJsHR

Lol not even close. This was my latest attempt at least. Tried a ton of different ways to make sense of this. I didn't consider the geometry enough.

Also, from your first form of the Bragg eqn, what happened to the 'n' term? Clearly, it's not part of the answer although I don't see where it disappears.
The "n " term is multiplying ## cos(\theta_r) ##. It multiplied the parenthesis of ## (1-sin^2(\theta_i)/n^2)^{1/2} ## to give ## (n^2-sin^2(\theta_i))^{1/2} ##.
 
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  • #8
Charles Link said:
The "n " term is multiplying ## cos(\theta_r) ##. It multiplied the parenthesis of ## (1-sin^2(\theta_i)/n^2)^{1/2} ## to give ## (n^2-sin^2(\theta_i))^{1/2} ##.

I see. Great! I'll try to talk to someone about the sign discrepancy... it's listed other places with the negative sign as well.
 
  • #9
I think the sign error comes from the original form of Braggs law used. I think if we start with $$m\lambda=2nd\sin(\theta_r)$$ then we can remedy the sign error.
 
  • #10
saybrook1 said:
I see. Great! I'll try to talk to someone about the sign discrepancy... it's listed other places with the negative sign as well.
My equations assume a constructive interference between each of the atomic layers throughout the material. I think I did it correctly. If I got a wrong sign for some reason, it wouldn't be the first time. I'm assuming a positive correction ## \delta ## for the refractive index...
 
  • #11
Charles Link said:
My equations assume a constructive interference between each of the atomic layers throughout the material. I think I did it correctly. If I got a wrong sign for some reason, it wouldn't be the first time. I'm assuming a positive correction ## \delta ## for the refractive index...

Ahhh okay, fair enough.
 
  • #12
saybrook1 said:
Ahhh okay, fair enough.
A google just now, I think, supplies the answer. The article stated, in talking about x-rays, that the index of refraction is just slightly less than 1. Thereby they are using a positive ## \delta ## in your textbook, but use the definition ## n=1-\delta ##. Looks like we are now in concurrence with the textbook result. :-) :-)
 
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  • #13
Charles Link said:
A google just now, I think, supplies the answer. The article stated, in talking about x-rays, that the index of refraction is just slightly less than 1. Thereby they are using a positive ## \delta ## in your textbook, but use the definition ## n=1-\delta ##. Looks like we are now in concurrence with the textbook result. :-) :-)
Beautiful, so then we can say $$n^2-1\approx-2\delta$$ Do I have that right? Then we'll get the negative sign in the expansion. Thank you.
 
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1. What is Modified Bragg's Law?

Modified Bragg's Law is a formula used to describe the relationship between the wavelength of X-rays and the angle of diffraction from a crystal lattice. This modified version takes into account the effects of crystal imperfections, such as strain and dislocations, on the diffraction pattern.

2. How is Modified Bragg's Law derived?

Modified Bragg's Law is derived from the original Bragg's Law, which states that the path difference between X-rays scattered from adjacent atomic planes must be an integer multiple of the X-ray wavelength in order to produce a diffraction peak. The modified version takes into account the changes in lattice spacing caused by crystal imperfections, resulting in a new formula with an additional term for the strain and dislocation effects.

3. What are some examples of when Modified Bragg's Law is used?

Modified Bragg's Law is commonly used in materials science and crystallography to analyze the structure and properties of materials. It is also used in X-ray diffraction techniques, such as X-ray diffraction imaging and X-ray diffraction spectroscopy, to study the atomic structure of materials and identify crystal defects.

4. How does understanding Modified Bragg's Law contribute to scientific research?

Understanding Modified Bragg's Law allows scientists to accurately interpret X-ray diffraction data and obtain more precise information about the structure and properties of materials. This is especially important in fields such as materials science, where the presence of crystal defects can significantly affect the behavior and performance of materials.

5. Are there any limitations or assumptions when using Modified Bragg's Law?

Modified Bragg's Law assumes that the crystal lattice is perfect and does not take into account the effects of crystal defects such as twinning or stacking faults. It also assumes that the crystal is a perfect single crystal, rather than a polycrystalline material with multiple crystal orientations. These limitations should be considered when using Modified Bragg's Law in scientific research.

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