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    Kronnig-Penney Using Block Theorem

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    Chris Evan
    The Kronig-Penney model demonstrates how a periodic one-dimensional potential can produce energy bands and band gaps when solving the Schrödinger equation. It assumes a simple periodic potential and solves for the allowed energies. The solution shows that band gaps open up at the zone boundaries, where the Bloch wavevector k equals an integer multiple of π/a. While an oversimplification, it provides insight into how periodic potentials in crystals can produce energy bands in the system.

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    Kronnig-Penney Using Block Theorem

    Uploaded by

    Chris Evan
    64 views6 pages
    The Kronig-Penney model demonstrates how a periodic one-dimensional potential can produce energy bands and band gaps when solving the Schrödinger equation. It assumes a simple periodic potential and solves for the allowed energies. The solution shows that band gaps open up at the zone boundaries, where the Bloch wavevector k equals an integer multiple of π/a. While an oversimplification, it provides insight into how periodic potentials in crystals can produce energy bands in the system.

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    Nuclear science

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    Kronnig-penney Using Block Theorem

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    The Kronig-Penney model demonstrates how a periodic one-dimensional potential can produce energy bands and band gaps when solving the Schrödinger equation. It assumes a simple periodic potential and solves for the allowed energies. The solution shows that band gaps open up at the zone boundaries, where the Bloch wavevector k equals an integer multiple of π/a. While an oversimplification, it provides insight into how periodic potentials in crystals can produce energy bands in the system.

    Copyright:

    © All Rights Reserved
    Download as PDF, TXT or read online from Scribd
    Download as pdf or txt
    64 views6 pages

    Kronnig-Penney Using Block Theorem

    Uploaded by

    Chris Evan
    The Kronig-Penney model demonstrates how a periodic one-dimensional potential can produce energy bands and band gaps when solving the Schrödinger equation. It assumes a simple periodic potential and solves for the allowed energies. The solution shows that band gaps open up at the zone boundaries, where the Bloch wavevector k equals an integer multiple of π/a. While an oversimplification, it provides insight into how periodic potentials in crystals can produce energy bands in the system.

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    © All Rights Reserved
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    Download as pdf or txt
    of 6

    10.

    2 The Kronig-Penney model 115

    10.1.5 Comparison between free and Bloch electrons

    We can now compare the two types of electrons we have learned about: the
    free electrons which we discussed in the infinite potential well and the Bloch
    electrons we have just discussed (electrons in a periodic potential):
    Free electrons Bloch
    Quantum numbers (no spin) �k is the momentum ��k crystal momentum; n band index
    Range of quantum numbers �k in all space, quantized n ∈ [1, ∞) integers; �k all vectors in 1st BZ
    �2 k 2
    Energy E(k) = 2m Unspecified. But En (�k + K)
    � = En (�k) for K
    �

    in the reciprocal lattice.


    ��k 1 ∂E(�k) 1 ∂En (�k)
    Velocity �v = m = � ∂k �vn (�k) = � ∂k
    �r �
    Wave function φk (�r) = √1 eik·� Unspecified. But φnk (�r) = eik·�r unk (�r)
    V
    � = unk (�r); R
    with unk (�r + R) � in lattice

    10.2 The Kronig-Penney model

    The Kronig-Penney model demonstrates that a simple one-dimensional pe-


    riodic potential yields energy bands as well as energy band gaps. While it is
    an oversimplification of the three-dimensional potential and band structure
    in an actual crystal, it is an instructive tool to demonstrate how the band
    structure can be calculated for a periodic potential, and how allowed and
    forbidden energies are obtained when solving the Schrödinger equation.
    The potential assumed in the model is shown in the Fig. 10.1.

     0 0<x<a
    U (x) = . (10.27)
     U −b < x < 0
    0

    We need to solve the Schrödinger equation,

    � �
    �2 d 2
    − + U (x) φnk (x) = Enk φnk (x) (10.28)
    2m dx2
    116 Chapter 10 Electrons in a periodic potential

    Figure 10.1 The Periodic Kronig-Penney potential in one dimension. The lattice
    constant is a and the potential is periodic in a.

    Using Bloch’s theorem, we only need to find a solution for a single period.
    Assuming that E < U0 ,

     AeiKx + Be−iKx 0 < x < a
    φkn (x) = . (10.29)
     CeQx + De−Qx −b < x < 0
    �
    2mE
    K =
    �2
    �
    2m(U0 − E)
    Q =
    �2
    Bloch’s theorem means that,

    φnk (a < x < a + b) = φnk (−b < x < 0)eik(a+b) (10.30)

    which defines the Bloch wavevector k used as an index to label the solution.
    The constants A, B, C, D are chosen so that φ, φ� are continuous at x = 0
    and x = a. At x = 0,

    A+B = C +D (10.31)

    iK(A − B) = Q(C − D)

    At x = a using the Bloch condition, meaning that φ(−b)eik(a+b) = φ(a) and


    10.2 The Kronig-Penney model 117

    φ� (−b)eik(a+b) = φ� (a) we have,


    � �
    AeiKa + Be−iKa = Ce−Qb + DeQb eik(a+b) (10.32)
    � � � �
    iK AeiKa − Be−iKa = Q Ce−Qb − DeQb eik(a+b)

    The above four equations have a solution only if the determinant of the
    coefficients vanishes,
    � �
    � �
    � 1 1 −1 −1 �
    � �
    � �
    � iK −iK −Q Q �
    � �=0 (10.33)
    � �
    � eiKa
    � e−iKa −e−Qb eik(a+b) −eQb eik(a+b) �
    �
    � �
    � iKeiKa −iKe−iKa −Qe−Qb eik(a+b) QeQb eik(a+b) �

    meaning that (skipping some algebra...),


    � 2 �
    Q − K2
    sinh Qb sin Ka + cosh Qb cos Ka = cos k(a + b) (10.34)
    2QK

    We can simplify the result be taking the limit b → 0 and U0 → ∞ while


    keeping Q2 ba/2 = P = const. In this limit, Q � K and Qb � 1. So we
    have,
    P
    f (Ka) = sin Ka + cos Ka = cos ka (10.35)
    Ka
    We notice that the only allowed energies are those for which −1 ≤ f (Ka) ≤
    1. Fig. 10.2 shows this graphically for a choice P = 3π/2. Whenever f (Ka)
    is outside the domain [−1, 1], there are no solutions.
    The important index is the Bloch wavevector k and not K. Solving for

    k we see the dependence of the energy and the formation of bands in Fig.
    10.3. The plot extends outside the first BZ to show the different n solutions.
    2mE
    The dashed line is the parabola �2
    = k 2 corresponding to free electrons.
    Notice that a gap opens in the energy spectrum at k = πa n.
    118 Chapter 10 Electrons in a periodic potential

    sin � Ka � � cos � Ka �
    P

    Ka

    Ka

    �4 �2 2 4 Π

    �1

    Figure 10.2 f (Ka) for P = 3π/2. The allowed values of the energy E are given
    �
    by those ranges of Ka = a 2mE
    �2 for which the function lies between ±1. For

    other values of the energy (shaded red) there are no solutions to the Schrödinger
    equation under the Bloch condition.
    10.2 The Kronig-Penney model 119

    2 m E

    �2
    100

    80

    n=3
    60

    ga p
    40

    n=2
    20
    ga p
    n=1 ka

    0.0 0.5 1.0 1.5 2.0 2.5 3.0 Π

    Figure 10.3 En (k) vs. k. shown in the extended zone scheme. The plot extends
    outside the first BZ to show the different n solutions. The dashed (red) line is the
    2mE
    parabola �2 = k 2 corresponding to free electrons. Notice that gaps open in the
    ka
    energy spectrum at integer π .

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