Effect of Lattice Vibrations on Vacancy Formation.

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SUMMARY

The discussion focuses on the effect of lattice vibrations on vacancy formation in a simple cubic lattice, modeled using Einstein oscillators. The key equations derived include $$\Delta A = nqk_B T \ln(\frac{\sinh(\beta \hbar \omega/2)}{\sinh(\beta \hbar \omega_0/2)})$$ for vacancy formation energy and approximations for high and low temperatures. Participants identified a typographical error in the second edition of Bergersen's and Plischke's textbook, which was corrected in the third edition. The discussion emphasizes the importance of using the latest edition for accurate solutions.

PREREQUISITES
  • Understanding of Einstein oscillators and their frequency representation
  • Familiarity with statistical mechanics concepts, particularly related to lattice vibrations
  • Knowledge of thermodynamic variables such as temperature (T) and Boltzmann constant (k_B)
  • Ability to manipulate hyperbolic functions and logarithms in mathematical expressions
NEXT STEPS
  • Study the derivation of vacancy formation energy in solid-state physics
  • Learn about the implications of lattice vibrations on material properties
  • Explore the differences between various editions of Bergersen's and Plischke's textbook
  • Investigate the role of temperature in statistical mechanics and its effects on lattice dynamics
USEFUL FOR

Students and researchers in condensed matter physics, particularly those studying lattice dynamics, vacancy formation, and statistical mechanics. This discussion is also beneficial for anyone using Bergersen's and Plischke's textbook for their studies.

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Homework Statement


2.10
To establish the effect qualitatively, consider the following crude model. Each atom vibrates as an independent three-dimensional Einstein oscillator of frequency ##\omega_0##. Assume further that if a nearest-neighbour site is vacant, the frequencyof the mode corresponding to vibration in the direction of the vacancy changes from ##\omega_0## to ##\omega##. Let ##q## be the number of nearest neighbours.

(a) Show that in this simple model, $$\Delta A = nqk_B T \ln(\frac{\sinh(\beta \hbar \omega/2)}{\sinh(\beta \hbar \omega_0/2)})$$

where ##n## is the total number of vacancies.

(b) Consider as an example a simple cubic lattice. Each mode then corresponds to the vibration of two springs. If one of them is cut, the simplest assumption one can make is: $$\omega = \omega_0/\sqrt{2}$$
Show that for high temperatures , ##\beta \hbar \omega \ll 1##, $$e^{-\beta\Delta A/n}\approx 8$$
while for ##\beta\hbar \omega \gg 1##, $$\Delta A \approx -3/2 n\hbar \omega_0 (2-2\sqrt{2}).$$
I am not sure I understand how did they solve question (b).

Here's the solution to question (b):

For ##\beta \hbar \omega \ll 1## we approximate ##\sinh x \approx x## and with ##q=6##, the result follows immediately. Similarly, at low tempratures, ##\beta \hbar \omega \gg 1## we use ##\sinh x \approx e^x/2##, and obtain the other limiting result.

Homework Equations

The Attempt at a Solution


For the first approximation I plugged everything to the identity in (a) and indeed got the approximation as it's written in the text, as for the second approximation I get:

$$\Delta A \approx 6nk_B T \ln(e^{\beta \hbar \omega_0/2(1/(\sqrt{2})-1) }) = \ldots =(-3/2) n\hbar \omega_0 (2-\sqrt{2})$$

Am I correct? Is there another mistake in a problem in this textbook of Bergersen's and Plischke's?
 
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I agree with your result. It does appear that there is a (typographical?) error in the text solution.
 
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TSny said:
I agree with your result. It does appear that there is a (typographical?) error in the text solution.
Yes, it appears it got corrected in the third edition, I really should be using it now instead of the second edition.
 

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