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

AI Thread Summary
The discussion focuses on the calculation of carrier density in a self-consistent solution of Schrödinger and Poisson's equations. The user expresses doubt about whether their method of calculating electron density using the Fermi function is sufficient for all electrons in bulk material. It is suggested that the user should consider integrating over reciprocal space to account for the density of states (DOS) and refine their calculation of carrier density. Additionally, it is emphasized that not all electrons contribute as carriers, and the user should identify the conduction band to accurately determine the number of carrier electrons. Accurate modeling requires incorporating exchange-correlation effects for many-electron systems.
dhirendra2212
Messages
1
Reaction score
0
Hello,

I am solving schrodinger and poisson's equation in a self consistent way. I solved schrodinger 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)
 
Engineering news on Phys.org
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)

Schrodinger'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.
 
Very basic question. Consider a 3-terminal device with terminals say A,B,C. Kirchhoff Current Law (KCL) and Kirchhoff Voltage Law (KVL) establish two relationships between the 3 currents entering the terminals and the 3 terminal's voltage pairs respectively. So we have 2 equations in 6 unknowns. To proceed further we need two more (independent) equations in order to solve the circuit the 3-terminal device is connected to (basically one treats such a device as an unbalanced two-port...
Thread 'Weird near-field phenomenon I get in my EM simulation'
I recently made a basic simulation of wire antennas and I am not sure if the near field in my simulation is modeled correctly. One of the things that worry me is the fact that sometimes I see in my simulation "movements" in the near field that seems to be faster than the speed of wave propagation I defined (the speed of light in the simulation). Specifically I see "nodes" of low amplitude in the E field that are quickly "emitted" from the antenna and then slow down as they approach the far...
Back
Top