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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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?
 

1. What is the meaning of "Empirical tight-binding sp3s* band structure"?

The "Empirical tight-binding sp3s* band structure" refers to a method for calculating the electronic band structure of semiconductors. It combines the tight-binding approximation, which describes the electronic states of atoms in a solid, with empirical parameters that account for the interactions between atoms.

2. How is the sp3s* band structure different from other band structure models?

The sp3s* band structure is unique in that it includes both the sp3 and sp3* orbitals, which represent the hybridization of s and p orbitals in semiconductors. This allows for a more accurate description of the electronic states in these materials compared to other band structure models.

3. What is the significance of the asterisk in "sp3s*"?

The asterisk in "sp3s*" represents the inclusion of the sp3* orbitals in the band structure model. These orbitals play a crucial role in describing the electronic states of semiconductors and are often neglected in other band structure models.

4. How is the empirical tight-binding sp3s* band structure calculated?

The empirical tight-binding sp3s* band structure is calculated using a combination of analytical and numerical methods. The tight-binding approximation is used to describe the electronic states of atoms, while empirical parameters are determined through fitting to experimental data. These parameters are then used to calculate the electronic band structure of the semiconductor.

5. What is the importance of understanding the empirical tight-binding sp3s* band structure of semiconductors?

Understanding the empirical tight-binding sp3s* band structure is crucial for predicting the electronic and optical properties of semiconductors. This knowledge is essential for the design and development of new semiconductor materials for various applications, such as electronic devices and solar cells.

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