The Kronig-Penney model is a simplified theoretical model used in solid state physics to study the behavior of electrons in a periodic potential. It provides insights into the electronic band structure of a one-dimensional crystal lattice.
It is also possible to find analytic expressions for the dispersion relation (E vs. k) and the electron density of states.
In the Kronig-Penney model,
We assume that the electron inside an array of equally spaced potential wells or potential barriers, all which have the same width and depth/heigh.
In the case of the Kroning-Penney model, the potential V(x) is a periodic square wave.
The Schrödinger equation determines the permissible states in which an electron can exist within the Kronig-Penney model.
$$\frac{-\hbar^2}{2m}\frac{\partial^2\psi}{\partial x^2}+v(x)\psi=E\psi$$
Solution of the Schrödinger equation for the Kronig-Penney potential
We assume,$$E<V_0$$
For $$0\leq x\leq a$$
$$ψ=A sinαx+B cosαx$$
$$\frac{d\psi}{dx}=A\alpha\;\sin\alpha x+B\alpha\;\cos\alpha x$$
where, $$\alpha=\frac{\surd(2mE)}ℏ$$
For $$-b≤x≤0$$
$$\frac{-\hbar^2}{2m}\frac{\partial^2\psi}{\partial x^2}+(E-v_0)\psi=0$$
Solution is periodic, barrier of limited thickness- solution doesn’t continue decay to zero. There is tunneling between wells.
$$\psi=C\;\sin h(\gamma x)+D\;\cos h(\gamma x)$$
$$\frac{d\psi}{dx}=C\gamma\;\sin h(\gamma x)+D\gamma\;\cos h(\gamma x)$$
$$\gamma=\frac{\surd(2m(V_0-E))}{\hbar}$$
ψ must be contuinues at x=0, and B=D
$$Also,\;\;\frac{d\psi}{dx}\;\;must\;be\;continuous\;at\;x=0,\;so\;A\backslash alpha=\backslash gamma\;C$$
Since the Kronig-Penney potential exhibits translational symmetry, the energy eigenfunctions of the Schrödinger equation will simultaneously be eigenfunctions of the translation operator.
we proceed by seeking the eigenfunctions of the translation operator. The translation operator T shifts the solutions by one period,
$$T\psi(x)\;=\;\psi(x\;+\;a)$$
Notice that any function of the form
$$\psi_k(x)=e^{ikx}U_k(x)$$
Is an eigen is an eigen function of translational operator with eigenvalue $$e^{ikx}$$
$$\psi_k(x)=e^{ik(x+a)}U_k(x+a)=e^{ikx}U_k(x)$$
In solid state physics, functions like this are said to have Bloch form. The convention for describing electron waves in a periodic medium is to express them in terms of the eigenfunctions of the translation operator.
These eigenfunctions have a well defined frequency and form a complete set that can be used to describe any wave.
An eigenfunction is specified by the k that appears in the expression for the eigenvalue. It turns out that the physical interpretation of k is nearly the same as the wave number of harmonic waves (usually also called k).
The eigenfunctions of the translation operator can be readily constructed from any two linearly independent solutions of the one-dimensional Schrödinger equation. A convenient choice is,
$$\frac{d\psi(x)}{dx}=e^{ik(x+a)}\frac{d\psi(x+a)}{dx}$$
There for,
$$Asin\alpha x+Bcos\alpha x=e^{ik(x+a)}(Asinh\gamma x+Bcos\alpha a)$$
Now take X= a and a=-b
Then,
$$A\;\sin\alpha a+B\;\cos\alpha a=e^{ik(a+b)}(A\;\sinh(-\gamma b)+B\;\cosh(-\gamma b))$$
$$A\lbrack\;\sin(\alpha a)+e^{ik(a+b)}\;\sinh(\gamma b)\rbrack+B\lbrack \;\cos(\alpha a)-e^{ik(a+b)}\;\cosh(\gamma b)\rbrack=0—–(1)$$
By considering (a+b)=c and taking the derivative,
$$A\alpha\lbrack\;\cos\;(\alpha c)+e^{ik(a+b)}\;\cos h\;(\gamma b)\rbrack+B\lbrack\;-\sin\;(\alpha c)-\;e^{ik(a+b)}\;\sin h\;(\gamma b)\rbrack=0—–(2)$$
Equation 1 & 2 have a non trivial solition (i.e, a spolution other than A=B=0 only)
If
$$\frac{\gamma^2-\alpha^2}{2\gamma\alpha}\;\sin (\alpha c)\;\sinh (\gamma b)+\cos (\alpha c) \cosh (\gamma b)= \cos (k(b+c)—–(3)$$
At this point it is convenient to consider the special case in which 0b and infinity
While the product remains constant.
Let
$$P=(\frac{(mV_0bc)}{H^2})$$
Then eqn 3 became
$$\frac P{\alpha c}\;\;\sin(\alpha c)+\cos(\alpha c)=\cos(kc)\;\;——(4)$$
This can be solved graphically
The solution for $$P=\frac{3\mathrm\pi}2$$
(corresponding to the higher barrier) shown below, it plotted by using the 4th equation RHS and LHS
We can have a solution for this when K and
$$\frac P{\alpha c}\;\;\sin(\alpha c)+\cos(\alpha c)\leq 1$$
And as cos (kc) always we have a valid solution for range of for a particular energy region
There for we need to find the for which there is no valid, as
$$E=\frac{h^2\alpha^2}{2m}$$
This means there are disallowed regions of energy, .e, energy gap
Energy band gap Energies and wave functions for electrons in crystal(periodic potential V(v))
(a) isolated potential well
(b) Free Electrons
$$\psi_k(x)=Ce^{ikx}$$
$$\psi_k(x.t)=Ce^{i(kx-ωt}$$
C) periodic potential
General result from Kronig_penny model
By solving the Schrödinger equation, it is found that the allowed energy states of the electrons form energy bands. Within these bands, the electrons have allowed energy values, while outside the bands, they are forbidden from having certain energies. The width and location of these energy bands depend on the properties of the crystal lattice, such as the spacing between the potential barriers and the height of the barriers.
The Kronig-Penney model helps explain phenomena such as energy bandgaps, where there are ranges of energies for which electrons cannot exist in a crystal lattice. It provides a simplified framework for understanding the electronic properties of real crystalline materials and is often used as a starting point for more advanced theoretical models in solid state physics.