Is my calculation of carrier density sufficient for all electrons in bulk?

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SUMMARY

The discussion centers on the calculation of carrier density in bulk materials using Schrödinger and Poisson's equations. The user calculates electron density with the equation n=sum(psi*psi*f(E)), where f(E) is the Fermi function. However, it is concluded that this single equation is insufficient to account for all electrons in bulk, as it only provides the total number of electrons, not specifically the carrier electrons. To accurately determine carrier density, one must integrate over the density of states (DOS) and apply exchange-correlation effects for many-electron systems.

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  • Understanding of Schrödinger's equation and its application in quantum mechanics.
  • Familiarity with Poisson's equation in electrostatics.
  • Knowledge of the Fermi function and its role in statistical mechanics.
  • Concept of density of states (DOS) in solid-state physics.
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dhirendra2212
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Hello,

I am solving Schrödinger and poisson's equation in a self consistent way. I solved Schrödinger equation and obtained eigen values which are allowed energy states. now I am calculating electron density with
n=sum(psi*psi*f(E))

where f(E)=1/(1+exp((E-Ef)/kT)) fermi function.

Now I am calculating charge density with carrier densities and putting that in poisson's equation for modified potential.

I am strongly doubtful of calculation of this carrier density n.
My question is, is that single equation is sufficient to account for all electrons in bulk.
though all electrons are identical and indistinguishable, so solution for every electron will be same, but then I think I have to multiply n (above mentioned) with Nn0 which is electron density at equilibrium = ni*ni/Na (for p-type bulk)
 
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Did you integrate your results over reciprocal space?
In that case you should find out the DOS and use n = integration of D(E) x f(E)

Schrödinger's equation in its basic form is not applicable to many electron problems. Apply exchange-correlation for that.

The n you calculated is total number of electrons, not all of which are carriers. Identify the conduction band and use that energy as limits to get carrier electrons.
 

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