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

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SUMMARY

The discussion centers on the temperature dependence of Debye temperature (TD) and its estimation from material properties. Participants highlight that TD is influenced by elastic constants and thermal expansion, with changes being minor (1 part in 1000 to 1,000,000 per Kelvin). The formula for TD involves variables such as N (number of atoms) and V (volume), which can be calculated using atomic density and molecular mass. Specific challenges include calculating N/V for an organic compound without known density, and the need for references or tables for Debye model evaluation.

PREREQUISITES
  • Understanding of Debye model and its application in solid-state physics.
  • Familiarity with concepts of thermal conductivity and temperature dependence.
  • Knowledge of atomic density calculations using Avogadro's number.
  • Basic principles of crystallography, including unit cell parameters and crystal groups.
NEXT STEPS
  • Research the calculation of atomic density using the formula ρNA/A.
  • Explore the relationship between elastic constants and Debye temperature.
  • Study the Debye model's application in estimating thermal properties of materials.
  • Look for resources or tables that provide integral values for Debye model evaluation.
USEFUL FOR

Researchers in solid-state physics, materials scientists, and chemists working with thermal properties of compounds, particularly those involved in estimating Debye temperature and analyzing organic compounds.

hugonot
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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:
 
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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 \rhoNA/A, where \rho 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...
 

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