Finding nearest neighbour equilibrium distance

Click For Summary
SUMMARY

The discussion centers on calculating the nearest neighbor equilibrium distance for CsCl, utilizing the energy equation per ion: –(αe²/(4πε₀)) + 8Ae^(-R/ρ), where A = 5.64 x 10³ eV and ρ = 0.34 Å. Participants clarify that for a simple cubic lattice, the nearest neighbor distance corresponds to the lattice parameter, a. To find the equilibrium distance, it is essential to derive the energy equation and set the derivative equal to zero, indicating the position of minimum potential energy.

PREREQUISITES
  • Understanding of simple cubic lattice structures
  • Familiarity with potential energy equations in physics
  • Knowledge of derivatives and their application in optimization
  • Basic concepts of ionic compounds and their energy calculations
NEXT STEPS
  • Study the derivation of potential energy equations in ionic crystals
  • Learn about the Madelung constant and its significance in ionic compounds
  • Explore the concept of equilibrium distance in various lattice structures
  • Investigate the application of derivatives in finding minima in physical systems
USEFUL FOR

Students in materials science, physicists, and chemists focusing on ionic compounds and crystallography, as well as anyone involved in calculating equilibrium distances in lattice structures.

Cocoleia
Messages
293
Reaction score
4

Homework Statement


The energy per ion in for CsCl is nearly – (αe 2 /(4πε0)) + 8Ae -(R/ρ) , where α is the Madelung constant and A = 5.64 x 103 eV and ρ = 0.34 Å. Calculate the nearest neighbour equilibrium distance.

Homework Equations


alpha = 2 ln 2

The Attempt at a Solution


I think that CsCl is a simple cubic structure
I found online

For a simple cubic lattice, it is clear that the nearest neighbor distance is just the lattice parameter, a. Therefore, for a simple cubic lattice there are six (6) nearest neighbors for any given lattice point.

so then my answer would be 0.34 A ? Is this correct ?
 
Physics news on Phys.org
The first line of the problem statement appears incomplete. I don't see any definition of ## R ## and also what do you take a derivative of to set it equal to zero? It looks like you may have a typo or two in your equation.
 
Charles Link said:
The first line of the problem statement appears incomplete. I don't see any definition of ## R ## and also what do you take a derivative of to set it equal to zero? It looks like you may have a typo or two in your equation.
That's the entire problem copied and pasted from the assignment.

I'm not sure what you mean by what do I take the derivative of ?
 
Cocoleia said:
That's the entire problem copied and pasted from the assignment.

I'm not sure what you mean by what do I take the derivative of ?
The equilibrium distance for a system is normally found as the position where the potential energy is a minimum, so that ## \frac{dV}{dR}=0 ##. ## \\ ## Consider for example a mass on a spring in a gravitational field.: ## U=\frac{1}{2}kx^2+mgx ## . Taking derivative and setting equal to zero: ## kx+mg=0 ## ==>> ## x_{equilibrium}=-\frac{mg}{k} ##, which the spring constant equation also tells you the forces are balanced there.
 
Last edited:
Charles Link said:
The equilibrium distance for a system is normally found as the position where the potential energy is a minimum, so that ## \frac{dV}{dR}=0 ##. ## \\ ## Consider for example a mass on a spring in a gravitational field.: ## U=\frac{1}{2}kx^2+mgx ## . Taking derivative and setting equal to zero: ## kx+mg=0 ## ==>> ## x_{equilibrium}=-\frac{mg}{k} ##, which the spring constant equation also tells you the forces are balanced there.
Ok so it is not enough to say
For a simple cubic lattice, it is clear that the nearest neighbor distance is just the lattice parameter, a.

I would have to derive the energy equation that is given to me and set =0
 
  • Like
Likes   Reactions: Charles Link

Similar threads

  • · Replies 5 ·
Replies
5
Views
4K
Replies
1
Views
13K
  • · Replies 1 ·
Replies
1
Views
1K
  • · Replies 1 ·
Replies
1
Views
3K
Replies
1
Views
2K
  • · Replies 2 ·
Replies
2
Views
2K
Replies
1
Views
11K
  • · Replies 7 ·
Replies
7
Views
3K
Replies
3
Views
5K
Replies
7
Views
2K