Is it possible to calculate Tsupercon from the unit cell?

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Discussion Overview

The discussion revolves around the possibility of calculating the superconducting transition temperature (Tc) from the unit cell of a material. It includes considerations of both conventional superconductors, explained by BCS theory, and high-temperature superconductors, where the underlying mechanisms remain less understood.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested

Main Points Raised

  • Some participants suggest that for conventional superconductors, it is possible to calculate Tc if the crystal structure is known, but this requires advanced computer simulations rather than analytical methods.
  • Others argue that high-temperature superconductors are fundamentally different, with no current models able to predict Tc due to a lack of understanding of the mechanisms behind their superconductivity.
  • One participant notes that while scientists can synthesize high-temperature superconductors, the absence of a comprehensive theoretical framework remains a significant challenge.
  • Another participant mentions that there are some ideas regarding the role of specific structural components, such as CuO2 in cuprates, which may provide clues about superconductivity.
  • A later reply introduces advanced theoretical frameworks like the Eliashberg-Migdal formalism and Dynamical Mean Field Theory, which have been used to predict superconducting behavior, particularly in high-temperature superconductors.

Areas of Agreement / Disagreement

Participants express differing views on the predictability of Tc for conventional versus high-temperature superconductors. While there is some agreement on the challenges posed by high-temperature superconductors, no consensus is reached regarding the feasibility of calculating Tc from unit cell information.

Contextual Notes

The discussion highlights limitations in current theoretical models for high-temperature superconductors and the dependence on advanced computational methods for conventional superconductors. There is also an acknowledgment of the evolving understanding of superconductivity in various materials.

jonjacson
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Hi folks,

It is an elementary question for people expert in superconductivity.

I know there is a theory, the BCS theory, and the GIzburg Landau theory too that apparently explains superconductivity.

My question is, if I give you a unit cell would you be able to tell me the temperature at which that solid enters into the superconducting state?

And the same question for high temperature superconductors, Is there a theory that tells you the Tc if the unit cell is known?
 
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For BCS (conventional) superconductor it is possible to calculate Tc if you know the structure (which we nearly always do, we are very, very good at determining crystal structures). However, you need advanced computer simulations to do so, it can't be done analytically.

High temperature superconductor are very different. We do not even fully understand why these materials are superconducting, meaning there are no models that can be used to predict Tc.
 
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f95toli said:
For BCS (conventional) superconductor it is possible to calculate Tc if you know the structure (which we nearly always do, we are very, very good at determining crystal structures). However, you need advanced computer simulations to do so, it can't be done analytically.

High temperature superconductor are very different. We do not even fully understand why these materials are superconducting, meaning there are no models that can be used to predict Tc.

Thanks!

So scientists are able to synthesize them but without the underlying theory, interesting.
 
jonjacson said:
Thanks!

So scientists are able to synthesize them but without the underlying theory, interesting.

We do have SOME ideas about what makes them superconducting (e.g. the role of the CuO2 in the cuprates) so it is not like the chemists are just combining elements at random, if you look at the structure of say the cuprates you will find that they have a similar structure so that is a clue.

But yes, it is very possible that there are many more superconducting compounds out there that we don't know of (see the fairly recent discovery of the pnictides)
 
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Look into:
The Eliashberg-Migdal formalism (basically extended BCS theory), and also
Dynamical Mean Field Theory (Kotliar) which has successfully predicted a superconductor (if I recall correctly, it was high-temperature).

It's complicated stuff!
 
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Thanks!

I will have a look.

I know, but it is very interesting.
 

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