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    Unit 3 Band Theory

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    Paras Gupta
    The document discusses Bloch functions and the Kronig-Penney model. [1] Bloch showed that electron wavefunctions in a periodic potential must take the form of a plane wave multiplied by a periodic function. [2] The Kronig-Penney model solves the Schrodinger equation for a periodic square well potential. [3] Solving the boundary conditions at the well interfaces yields a transcendental equation relating the energy to the wave vector that produces allowed and forbidden energy bands.

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    Unit 3 Band Theory

    Uploaded by

    Paras Gupta
    29 views10 pages
    The document discusses Bloch functions and the Kronig-Penney model. [1] Bloch showed that electron wavefunctions in a periodic potential must take the form of a plane wave multiplied by a periodic function. [2] The Kronig-Penney model solves the Schrodinger equation for a periodic square well potential. [3] Solving the boundary conditions at the well interfaces yields a transcendental equation relating the energy to the wave vector that produces allowed and forbidden energy bands.

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    The document discusses Bloch functions and the Kronig-Penney model. [1] Bloch showed that electron wavefunctions in a periodic potential must take the form of a plane wave multiplied by a periodic function. [2] The Kronig-Penney model solves the Schrodinger equation for a periodic square well potential. [3] Solving the boundary conditions at the well interfaces yields a transcendental equation relating the energy to the wave vector that produces allowed and forbidden energy bands.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PPT, PDF, TXT or read online from Scribd
    Download as ppt, pdf, or txt
    29 views10 pages

    Unit 3 Band Theory

    Uploaded by

    Paras Gupta
    The document discusses Bloch functions and the Kronig-Penney model. [1] Bloch showed that electron wavefunctions in a periodic potential must take the form of a plane wave multiplied by a periodic function. [2] The Kronig-Penney model solves the Schrodinger equation for a periodic square well potential. [3] Solving the boundary conditions at the well interfaces yields a transcendental equation relating the energy to the wave vector that produces allowed and forbidden energy bands.

    Copyright:

    Attribution Non-Commercial (BY-NC)
    Download as PPT, PDF, TXT or read online from Scribd
    Download as ppt, pdf, or txt
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    Bloch Functions

    Felix Bloch showed that the actual


    solutions to the Schrödinger equation for
    electrons in a periodic potential must have
    the special form:
    
      i ( k r )
     k ( r )  uk ( r )e
    where u has the period of the lattice, that
    is
      
    uk ( r )  uk ( r  T )
    Bloch Functions
    
      i ( k r )
     k ( r )  uk ( r )e
    The single electron wavefunction shown
    above is called a Bloch function and may
    be decomposed into a sum of traveling
    waves. These functions may be
    assembled into wave packets to represent
    electrons that propagate freely through the
    ion core potential field.
    Kronig-Penney Model

    V(x)

    V0

    II I III
    (a+b) b 0 a a+b x

    The wave equation can be solved when the potential is


    simple... such as a periodic square well.
    Kronig-Penney Model

     2 d 2
     2
     V ( x)  E
    2m dx
    Region I - where 0 < x < a and V = 0
    The eigenfunction is a linear combination of plane waves
    traveling both left and right:

      Ae  Beikx  ikx

    The energy eignevalue is:


    2 2
     k
    E
    2m
    Kronig-Penney Model

     2 d 2
     2
     V ( x)  E
    2m dx
    Region II - where b < x < 0 and V = V0
    Within the barrier, the eigenfunction looks like this
    x  x
      Ce  De
    and
     2 2
    E  V0 
    2m
    Kronig-Penney Model

    U(x)

    U0

    II I III
    (a+b) b 0 a a+b x

    To satisfy Mr. Bloch, the solution in region III


    must also be related to the solution in region II.

     III   II e iq ( a  b )
    Kronig-Penney Model
    A,B,C, and D are chosen so that both the wavefunction
    and its derivative with respect to x are continuous at
    the x = 0 and a.
    At x = 0...
    A B  C  D
    ik ( A  B )   (C  D )
    At x = a...
     III   II e iq ( a  b )

     ika b  b iq ( a  b )
    Ae ika
     Be  (Ce  De )e
    ik  Ae ika
     Be  ika
        Ce  b
     De b
    e iq ( a  b )
    Kronig-Penney Model
    k2 2
    sinh  b sin ka  cosh  b cos ka  cos q(a  b)
    2 k

     2ba P
    let P  sin ka  cos ka  cos qa
    2 ka

    P 3
    sin ka  cos ka for P  
    ka 2

    ka

    ka
    0  2 3

    Gaps occur at k values that are multiples of
    a
    n
    k Brillouin zones
    a
    Kronig-Penney Model  Plot of energy versus
    Wave number for the
    Kronig-Penney Potential,
     with P = 3/2.

    ka
    ka
     0 
    0  2 3

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