The energy dispersion relation for sc, bcc and fcc?

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SUMMARY

The discussion focuses on calculating the energy dispersion relation for simple cubic (sc), body-centered cubic (bcc), and face-centered cubic (fcc) crystals using the tight-binding model. The formula used is E(k) = alpha + beta * S * e^[ik(R-R')], where alpha represents the Coulomb integral, beta is the exchange integral, and S is the sum over the nearest neighbors. The participants clarify that the sum should indeed be over the exponential term, emphasizing the importance of accurately identifying the positions of nearest neighbors in the lattice structure.

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  • Understanding of tight-binding models in solid-state physics
  • Familiarity with crystal structures: simple cubic, body-centered cubic, and face-centered cubic
  • Knowledge of Coulomb and exchange integrals in quantum mechanics
  • Basic proficiency in mathematical notation and summation techniques
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  • Explore the derivation of energy dispersion relations for different crystal structures
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Students and researchers in solid-state physics, materials science, and condensed matter physics who are interested in understanding energy dispersion relations in various crystal structures.

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Homework Statement


I need to calculate the energy dispersion relation in the tight binding for simple cubic, base centered cubic and face centered cubic crystals. There are no values given, they just need the result depending on the lattice constant a.

Homework Equations


E (k) = alpha + beta * S * e^[ik(R-R')],
for alpha = the Coulomb integral, beta = the exchange integral, and S = the sum over the nearest neighbors of atoms at position R.

The Attempt at a Solution


I can see how S depends on the crystal structure, but is that it? Should I just keep the formula and only change the number of the nearest atoms for the three different structures? Also, is it relevant where you fix R? Thank you!
 
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Are R' the positions of those nearest neighbors?
I would expect that this exponential gets summed over, not a sum multiplied by an exponential.
 
mfb said:
Are R' the positions of those nearest neighbors?
I would expect that this exponential gets summed over, not a sum multiplied by an exponential.
Oh my God, yes, it is the sum over the exponential and i am stupid.
 

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