Number of phonons - Which length should I use?

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Homework Help Overview

The discussion revolves around calculating the Debye frequency and the number of atoms in a system, specifically within the context of phonon statistics in a nanocrystal. The problem involves understanding the relationship between the volume used in calculations and the resulting number of atoms, particularly in relation to an FCC lattice structure.

Discussion Character

  • Conceptual clarification, Assumption checking

Approaches and Questions Raised

  • Participants explore the implications of using different volumes for calculations, questioning whether to use a smaller volume related to lattice points or a larger volume corresponding to the nanocrystal size. There is also discussion on the significance of obtaining exactly two atoms and how temperature might influence this result.

Discussion Status

The discussion is ongoing, with participants questioning the validity of specific numerical results and the assumptions behind them. Some guidance is provided regarding the relationship between phonons and lattice points, but no consensus has been reached on the implications of temperature variations.

Contextual Notes

Participants note that the results may depend on temperature, and there is uncertainty about the appropriateness of the chosen volume for calculations. The relationship between phonons and lattice points is also under scrutiny.

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Homework Statement



(a) Find debye frequency.
(b) Find number of atoms.
2012_B6_Q2.png

Homework Equations

The Attempt at a Solution



Part(a)
[/B]
Density of states is given by
g(\omega) = \frac{3V\omega^2}{2 \pi^2 c^3} = N \left[ \frac{12 \pi \omega^2}{(2\pi)^2 n c^3} \right] = 9N \frac{\omega}{\omega_D^3}
Debye frequency is given by
\omega_D^3 = 6 \pi^2 n c^3

Part(b)
The number of atoms ##N## is related to occupation number ##n(\vec k)## by
N = \sum\limits_{k} n(\vec k) = \int \frac{g(\omega)}{e^{\beta \hbar \omega} - 1} d\omega
N = \frac{3V}{2 \pi^2 c^3} \int_0^{\infty} \frac{\omega^2}{e^{\beta \hbar \omega} - 1} d\omega
N =\frac{3V}{2 \pi^2 c^3} \left( \frac{1}{\beta \hbar}\right)^3 \int_0^{\infty} \frac{x^2}{e^x -1} dx
N = \frac{3V}{2\pi^2 c^3} \left(\frac{k}{\hbar} \right)^3 \cdot 2.404 \cdot T^3

Which volume should I use at this point? Should I use ##(0.409nm)^3## or should I use ##(180nm)^3##?
Using the former gives ##2.07## which is exactly the number of lattice points of an FCC lattice. Using the latter gives ##1.8 \times 10^8##.
 
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"present within the nanocrystal" -> (180nm)3
 
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mfb said:
"present within the nanocrystal" -> (180nm)3

Using the lattice constant gives exactly ##N\approx 2##. Could I take that my answers are right?
 
Exactly 2? That is odd, it depends on temperature and there is no reason why this specific temperature should give exactly 2.
 
mfb said:
Exactly 2? That is odd, it depends on temperature and there is no reason why this specific temperature should give exactly 2.
Considering this is an FCC, does 2 phonons = 2 lattice points?
 
What happens if you take a different temperature, like 100 K or 300 K?
 
mfb said:
What happens if you take a different temperature, like 100 K or 300 K?
True. So Number of phonons ##\neq## number of lattice points?
 
Sure.
There can be a temperature where the numbers are similar, but that is a meaningless coincidence.
 
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