Why Does FCC's Reciprocal Lattice Cube Side Equal 4π/a?

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Discussion Overview

The discussion centers on the relationship between the face-centered cubic (FCC) lattice and its reciprocal lattice, specifically addressing why the length of the cube side in the reciprocal lattice is expressed as 4π/a, where a is the lattice constant. The conversation includes mathematical derivations, conceptual clarifications, and some expressions of confusion regarding the underlying principles.

Discussion Character

  • Exploratory
  • Technical explanation
  • Mathematical reasoning
  • Debate/contested

Main Points Raised

  • One participant questions the reasoning behind the expression for the reciprocal lattice side length, noting that their professor could not provide a satisfactory explanation.
  • Another participant suggests that the factor of 4 is included to clarify that the reciprocal lattice of FCC corresponds to a body-centered cubic (BCC) lattice with a lattice constant of 4π/a.
  • A request for a mathematical explanation is made, indicating that the previous explanations were not convincing to some participants.
  • A participant provides a derivation of the primitive reciprocal lattice vector for the FCC lattice, showing how it leads to the expression for the BCC lattice with a lattice constant of 4π/a.
  • There is a question about the inclusion of a factor of 1/2 in the derivation, with a participant seeking clarification on its significance.
  • Another participant explains that the factor of 1/2 is used to illustrate the connection between the FCC and BCC lattices in both direct and reciprocal space.
  • A detailed comparison of the basis vectors for FCC and BCC lattices is presented, demonstrating how the reciprocal lattice of FCC can be understood as a BCC lattice.
  • Participants express satisfaction with the explanations provided, indicating that they found the reasoning clear and straightforward.

Areas of Agreement / Disagreement

While some participants express understanding and agreement with the mathematical derivations, there remains some uncertainty and confusion regarding the reasoning behind certain factors in the equations. The discussion does not reach a consensus on all aspects, particularly concerning the clarity of the explanations.

Contextual Notes

The discussion involves various mathematical steps and assumptions that are not fully resolved, particularly regarding the derivation of reciprocal lattice vectors and the significance of certain factors in the equations.

TheDestroyer
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If we are studying FCC in the direct lattice, Why does the length of the cube side in the reciprocal lattice equal to 4*Pi/a Where a is the lattice constant,

a*=|G|=2*Pi/a Sqrt(4) = 4*Pi/a

Where a* is the length of the cube site in reciprocal lattice
Note: this thing is repeated in 2 problems and i wouldn't be able to know the reason.

Prefessor is writing it like this but i can't understand (LOL, he also doesn't know to answer me when i asked him, he's just reading from papers, Silliy Professors)

Any one can explain? thanks
 
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the factor 4 is usually left there to make it clear that fccs reciprocal lattice is the bcc lattice with a lattice constant of 4pi/a.
 
Can you explain it in mathemtical way? because this explanation is refused when it's said like that!

Thanks
 
allright. let's look at the primitive reciprocal lattice vector b1 of the fcc lattice. the a vectors are the direct space primitive lattice vectors.

b_1=2\pi \frac{a_2 \times a_3}{a_1 \cdot (a_2 \times a_3}

Just plug in the fcc vectors and do the cross products and you'll get

b_1=\frac{4\pi}{a} 1/2(y+z-x)

which is the a1 for bcc with a lattice constant of 4pi/a.
 
OK! Why did you put 1/2?

I know the reciprocal of fcc is 2Pi/a (-x+y+z)

Why did you multiply and device by 1/2?


HERE IS THE QUESTION :P

Thanks
 
The half is there just to show the connection between fcc and bcc in direct and reciprocal space.
 
The basis vectors of an FCC in a symmetric form are :

a_1=\frac{a}{2}(\hat{x} + \hat{y})

a_2=\frac{a}{2}(\hat{y} + \hat{z})

a_3=\frac{a}{2}(\hat{z} + \hat{x})

If you plug these into the equation provided by inha in post#4 for the reciprocal lattice vectors, you get :

b_1=\frac{2\pi}{a}(\hat{x} + \hat{y} - \hat{z})

b_2=\frac{2\pi}{a}(\hat{y} + \hat{z} - \hat{x})

b_3=\frac{2\pi}{a}(\hat{z} + \hat{x} - \hat{y})

(also, as posted by inha in post #4)

The trick, next, is to recall that the basis vectors for a BCC, in symmetric form are :a_1=\frac{a'}{2}(\hat{x} + \hat{y} - \hat{z})

a_2=\frac{a'}{2}(\hat{y} + \hat{z} - \hat{x})

a_3=\frac{a'}{2}(\hat{z} + \hat{x} - \hat{y})

where a' is the BCC lattice parameter (or cube edge).

Since these have the same form as the reciprocal vectors of the FCC, we understand that the reciprocal lattice of the FCC is in fact, a BCC.

Secondly, comparing coefficients, we find that :

\frac{2\pi}{a} = \frac{a'}{2}

\implies a' = \frac{4\pi}{a}
 
Last edited:
Thanks, I got it
 
TheDestroyer said:
Thanks, I got it

I think it is quite easy. By normally calculate we can get b=4*pi/a for fcc and bcc
 

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