Expanding the periodic potentials

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SUMMARY

The discussion centers on the representation of periodic potentials in the form v(r)=Ʃf(r-R), where the sum is over lattice vectors R. Participants confirm that this formulation is valid under the condition that the potential v is periodic, satisfying v(r+R) = v(r) for all lattice vectors R. The conversation also touches on the implications of periodic boundary conditions and the relationship between the potential and the lattice structure. A specific method to derive this representation involves setting f(r) = v(r)/N_R, where N_R is the total number of lattice points.

PREREQUISITES
  • Understanding of periodic potentials in solid-state physics
  • Familiarity with lattice vectors and reciprocal lattice concepts
  • Knowledge of periodic boundary conditions in computational models
  • Basic principles of superposition in potential theory
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hokhani
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Could one always write the periodic potentials in the form:
v(r)=Ʃf(r-G)
where the sum is over G (reciprocal lattice vectors)?
 
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r-G does not make sense. They are vectors in different spaces. They have different units.
 
Excuse me. I wrote wrong.
Can we write v(r)=Ʃf(r-R) where the sum is over lattice vectors R?
 
This looks like superposition. Adding the potentials of each atom, in the coordinate system with origin in the specific atom. Periodicity does not seem to be necessary for this.
f(r-R) will be the potential "produced" by the atom at location R.
 
Ok, thank you. But I like to know that could we earn this formula merely by having periodicity condition (without regarding atoms)?
 
yes, if the potential v is periodic, then it can be written in this form. This is the most general form of a function v(r) which fulfills v(r+R) = v(r) for all lattice vectors R (i.e., which is periodic).
 
cgk said:
yes, if the potential v is periodic, then it can be written in this form. This is the most general form of a function v(r) which fulfills v(r+R) = v(r) for all lattice vectors R (i.e., which is periodic).
Could you please prove it or give me a reference which has proved it?
 
Consider a large, finite lattice with periodic boundary conditions. Note that then v(r)=Ʃf(r-R) hold if you put in f(r) = v(r)/N_R itself, where N_R is the total number of lattice points. This also still holds if you set f(r) = v(r) if r is in one single unit cell, and 0 if not.
 

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