Empirical tight-binding sp3s* band structure of semiconductors

In summary, the author is trying to find the spin-orbit splitting parameters for certain semiconductors using tight binding, but is having trouble because the temperature is not mentioned in any of the articles he has consulted. The author is looking for a reference that will provide accurate spin-orbit splitting parameters for T = 0 K, but is having difficulty finding one.
  • #1
rogdal
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TL;DR Summary
I'm looking for the spin-orbit splitting parameters of certain semiconductors at T = 0 K and their dependance on temperature.
I'm simulating on code the tight-binding sp3s* bandstructure of certain semiconductors, such as GaAs, AlP, InP, ZnSe, etc. with spin-orbit coupling at a temperature of T = 0 K but I'm having trouble at finding the corresponding spin-orbit splitting parameters.

For example, I've found in this article by Vogl et al, A Semi-Empricial Tight-Binding Theory of the Electronic Structure of Semiconductors the following relation of spin-orbit parameters:

1678451111175.png


But the temperature is not said anywhere in that article. In fact, the tight binding parameters without spin-orbit coupling depend a lot on the temperature. At this point, the only information that is certain for me is the following:

1) At T = 300 K the desired parameters appear in this article by Klimeck et al: sp3s* Tight-binding parameters for transport simulations in compound semiconductors

2) At T = 0 K I know from chapter 5 of Supriro Datta's Quantum Transport, Atom to Transistor that the spin-orbit parameters, only for GaAs are D_a = 0.37 eV for Arsenic and D_c = 0.013 eV for Gallium. The other semiconductors are not mentioned.

Based on what I've said above, do you know where I could find the spin-orbit splitting parameters for the semiconductors on Table 4 at T = 0 K, and if it were possible their dependance with the temperature? Any references will be appreciated.

Thank you very much!
 
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  • #2
They will be fairly accurate at low T, since that is where the measurements were probably made.
 
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  • #3
Thanks, all the articles I've referenced provide semiempirical results for the parameters, but how can they differ that much from each other?

I mean, if the parameters at Table 4 were taken at T = 0 K, Delta_a very similar to the one provided in Datta's book, but Delta_c differs in one order of magnitude. Do you how what fenomena can occur in those measurements so that the results are so different?
 

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