Meaning of soulution of Central Equation: Nearly free electron model

In summary: The energy gap is the difference between the highest and lowest energy levels at a specific k value. It is possible to find values for C_k by solving the central equation and using the Fourier coefficients to determine the wave function. This can be done if the periodicity of the potential and k are known. Additionally, the exact equation can be found in Solid State Physics by Ashcroft and Mermin, in chapter 9, equation (9.29).
  • #1
mhsd91
23
4
Considering the Nearly Free Electron model of solids, where we assume the valence electrons of some one dimensional(!) solid to move in a weak, periodic (with respect to the solids lattice constant) potensial.

We may derive (which I assume you are familiare with, and will not do here) the central equation as an algebraic reformulation of the time independent Schrödinger eq. corresponding to the model/potential at hand,

[itex]
(\lambda_k - \epsilon)C_k + \Sigma_G U_G C_{k-G} = 0
[/itex]



where [itex] \lambda_k = (\hbar^2 k^2) / (2m_e) [/itex], [itex] G [/itex] is the set of possible reciprocal lattice vectors and [itex] C_k [/itex] is det Fourier coefficients corresponding to the solution of the Schrödinger eq.:

[itex]
\psi_k = \Sigma_k C_k e^{ikx}
[/itex].


My problem is that I do not understand what exactly we do find if we solve the central equation.

Say for instance I solve it and find the energy [itex] \epsilon_\pm = \lambda_k \pm U_0 [/itex] for some [itex]k[/itex]. Then I am told the energy gap, [itex] \epsilon_{gap} = \epsilon_+ - \epsilon_- [/itex], between two energy bands for this [itex]k[/itex] at hand. Please (dis)confirm!?

... and then WHICH two bands are this gap between? (If that makes sense). And is it possible to find values for [itex] C_k [/itex], how? .. Assuming we know the periodicity of the potential and [itex] k [/itex].
 
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  • #2
mhsd91 said:
Considering the Nearly Free Electron model of solids, where we assume the valence electrons of some one dimensional(!) solid to move in a weak, periodic (with respect to the solids lattice constant) potensial.

We may derive (which I assume you are familiare with, and will not do here) the central equation as an algebraic reformulation of the time independent Schrödinger eq. corresponding to the model/potential at hand,

[itex]
(\lambda_k - \epsilon)C_k + \Sigma_G U_G C_{k-G} = 0
[/itex]



where [itex] \lambda_k = (\hbar^2 k^2) / (2m_e) [/itex], [itex] G [/itex] is the set of possible reciprocal lattice vectors and [itex] C_k [/itex] is det Fourier coefficients corresponding to the solution of the Schrödinger eq.:

[itex]
\psi_k = \Sigma_k C_k e^{ikx}
[/itex].


My problem is that I do not understand what exactly we do find if we solve the central equation.

Say for instance I solve it and find the energy [itex] \epsilon_\pm = \lambda_k \pm U_0 [/itex] for some [itex]k[/itex]. Then I am told the energy gap, [itex] \epsilon_{gap} = \epsilon_+ - \epsilon_- [/itex], between two energy bands for this [itex]k[/itex] at hand. Please (dis)confirm!?

... and then WHICH two bands are this gap between? (If that makes sense). And is it possible to find values for [itex] C_k [/itex], how? .. Assuming we know the periodicity of the potential and [itex] k [/itex].

yes we can;
in this case C is equal to: +_sgn(U)C
u can find the exact equation in,Solid State Physics By Ashcroft&Mermin.chapter9,equation (9.29)-
 

1. What is the central equation of the Nearly Free Electron Model?

The central equation of the Nearly Free Electron Model is the Schrödinger equation, which describes the behavior of electrons in a crystal lattice. This equation takes into account the potential energy of the lattice and the kinetic energy of the electrons.

2. What does the solution of the central equation represent in the Nearly Free Electron Model?

The solution of the central equation in the Nearly Free Electron Model represents the wave function of the electrons in the crystal lattice. This wave function describes the probability of finding an electron at a certain position in the lattice.

3. How does the Nearly Free Electron Model explain the behavior of electrons in a crystal lattice?

The Nearly Free Electron Model explains the behavior of electrons in a crystal lattice by considering the lattice as a periodic potential that interacts with the electrons. The model takes into account the energy levels and wave functions of the electrons in the lattice, leading to a better understanding of their behavior.

4. What is the significance of the Nearly Free Electron Model in materials science?

The Nearly Free Electron Model is significant in materials science because it provides a simple and accurate way to describe the electronic properties of materials, such as metals and semiconductors. This model has been used to explain various phenomena, such as electrical conductivity and optical properties, in a wide range of materials.

5. Are there any limitations of the Nearly Free Electron Model?

Yes, there are some limitations to the Nearly Free Electron Model. This model does not take into account the interactions between electrons, which can be significant in some materials. It also does not consider the effects of temperature and disorder in the crystal lattice, which can affect the behavior of electrons. Therefore, this model is best suited for simple systems and may not accurately describe the behavior of electrons in all materials.

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