Is there a formula for the temperature dependence of Debye temperature?

Click For Summary

Discussion Overview

The discussion revolves around the temperature dependence of Debye temperature, exploring theoretical formulas and practical calculations related to specific materials. Participants are seeking to understand how to estimate Debye temperature at specific temperatures based on given temperature-dependent heat capacities and material properties.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested
  • Mathematical reasoning

Main Points Raised

  • Some participants question whether Debye temperature is dependent on temperature, suggesting a potential function TD(T).
  • One participant asserts that Debye temperature is primarily dependent on the material or element in question.
  • A participant expresses the need for a method to estimate Debye temperature at specific temperatures, given a temperature-dependent heat capacity C(T) for a solid compound.
  • There is a discussion about the variables in the Debye temperature formula, specifically the meaning of N (number of atoms) and V (volume), with a participant providing a formula for N based on density and atomic mass.
  • Another participant mentions that any temperature dependence in Debye temperature arises from changes in elastic constants and thermal expansion, noting these changes are typically small.
  • Several participants seek clarification on calculating N/V (number of atoms per unit volume) without density, discussing the use of elementary cell volume and molecular weight.
  • A participant identifies their compound as an organic benzene derivative and expresses difficulty in calculating the number of atoms from the elementary cell parameters.
  • There is a request for procedures or tables related to the evaluation of the Debye model, indicating a need for resources to assist in calculations.

Areas of Agreement / Disagreement

Participants do not reach a consensus on the temperature dependence of Debye temperature, with multiple competing views on how to approach the estimation and calculation of relevant variables.

Contextual Notes

Participants express limitations in their knowledge regarding the calculation of N/V without density and the specific characteristics of their materials, indicating unresolved mathematical steps and dependencies on definitions.

hugonot
Messages
7
Reaction score
0
I guess is Debye temperature dependent on temperature? I.e TD(T)?
Does anybody know a theoretical formula for temperature dependence of Debye temperature?:confused:
 
Last edited:
Physics news on Phys.org
Thanks, However, I know this references.
My problem is:
I have got specific temperature dependence C(T) for the solid compound.
I can estimate Debye temperature from the fit, but it will be only one value for the whole range of temperatures.
How can I estimate Debye temperature at specific temperature?
How can t be estimated from material dependent variables? I know the formula for TD http://en.wikipedia.org/wiki/Debye_model but what should I use as N and V?
If V stands for volume, what means N or rather how to calculate it?
Could you give me an example? I mixed up :confused:
 
hugonot said:
Thanks, However, I know this references.
My problem is:
I have got specific temperature dependence C(T) for the solid compound.
I can estimate Debye temperature from the fit, but it will be only one value for the whole range of temperatures.
How can I estimate Debye temperature at specific temperature?
How can t be estimated from material dependent variables? I know the formula for TD http://en.wikipedia.org/wiki/Debye_model but what should I use as N and V?
If V stands for volume, what means N or rather how to calculate it?
Could you give me an example? I mixed up :confused:
In the Wikipedia article cited - http://en.wikipedia.org/wiki/Debye_model#Debye.27s_derivation - N is the number of atoms.

If the atomic density is given by [itex]\rho[/itex]NA/A, where [itex]\rho[/itex] is the density, NA is Avogadro's number, A is the atomic mass.
 
Last edited:
hugonot said:
I guess is Debye temperature dependent on temperature? I.e TD(T)?
Does anybody know a theoretical formula for temperature dependence of Debye temperature?:confused:
Any temperature dependence in the Debye Temperature comes from temperature dependences in elastic constants (and due to thermal expansion). These changes are small: about 1 part in 1000 to 1000,000 per Kelvin.
 
Thanks for both responses.
I have still a problem with N/V (number per atoms in unit volume).
I have got elementary cell volume V and mass weight of the molecule M.
The cryst. group is P1-. I don't have density,
How can I calculate N/V?
 
hugonot said:
Thanks for both responses.
I have still a problem with N/V (number per atoms in unit volume).
I have got elementary cell volume V and mass weight of the molecule M.
The cryst. group is P1-. I don't have density,
How can I calculate N/V?
What type of molecule, i.e. is this a mineral or alloy?

For some basic lattices, there is usually a given number of atoms/cell and a unit cell volume based on the geometry and lattice parameters. It's a close estimate to get N/V, if one doesn't have mass density.
 
My molecule is organic compound - benzene derivative, I visualised elementary cell but
it seems complicated to calculate the number of atoms...
I have got cell parameters.
 
Where can I find a procedure for Debye model evaluation or tables of this integral value?
I have found a reference to the tables by HARRISON but not available for me...
 

Similar threads

  • · Replies 2 ·
Replies
2
Views
2K
  • · Replies 4 ·
Replies
4
Views
3K
  • · Replies 3 ·
Replies
3
Views
3K
  • · Replies 3 ·
Replies
3
Views
2K
  • · Replies 1 ·
Replies
1
Views
5K
  • · Replies 7 ·
Replies
7
Views
3K
  • · Replies 3 ·
Replies
3
Views
16K
  • · Replies 0 ·
Replies
0
Views
1K
  • · Replies 15 ·
Replies
15
Views
2K
  • · Replies 15 ·
Replies
15
Views
6K