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Semiconductor Impurity Analysis

The document discusses effective mass approximation in silicon and provides the Hamiltonian and wavefunctions for a hydrogen-like impurity in silicon. It summarizes that: 1) The Hamiltonian can be written in terms of effective mass and includes a perturbation term due to effective mass asymmetry. 2) The unperturbed Hamiltonian solutions are hydrogen-like wavefunctions for the 1s, 2s, and 2p orbitals. 3) The perturbation does not mix the degenerate 2p wavefunctions but does mix the non-degenerate 1s and 2s wavefunctions. It also simply shifts the energies of the other orbitals.

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236 views2 pages

Semiconductor Impurity Analysis

The document discusses effective mass approximation in silicon and provides the Hamiltonian and wavefunctions for a hydrogen-like impurity in silicon. It summarizes that: 1) The Hamiltonian can be written in terms of effective mass and includes a perturbation term due to effective mass asymmetry. 2) The unperturbed Hamiltonian solutions are hydrogen-like wavefunctions for the 1s, 2s, and 2p orbitals. 3) The perturbation does not mix the degenerate 2p wavefunctions but does mix the non-degenerate 1s and 2s wavefunctions. It also simply shifts the energies of the other orbitals.

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Apu
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Thomas Ihn

Semiconductor Nanostructures
Fall 2017

Solutions 4 released: 11.10.2016


Topics: Envelope function and effective mass approximation in silicon discussed: 18.10.2016

Problem 1: Hydrogen-like impurity in silicon

We can write the Hamiltonian in the form

p2x p2y + p2z


H = + + Vc (~r)
2mT (1 + ∆m/mT ) 2mT
p2x p2x + p2y + p2z
 
1
= −1 + + Vc (~r)
2mT 1 + ∆m/mT 2mT
p~2 p2 ∆m
= + Vc (~r) − x
2mT 2mT mT
2
p ∆m
= H0 − x
2mT mT

The last term is the perturbation due to effective mass asymmetry. The unperturbed
Hamiltonian solutions are hydrogen-like wavefunctions
 3/2
1 1
ψ1s = |1, 0, 0i = √ e−r/a
π a
 3/2 
1 1 r  −r/2a
ψ2s = |2, 0, 0i = √ 2− e
4 2π a a
 3/2
1 1 r −r/2a
ψ2pz = |2, 1, 0i = √ e cos θ ≡ |Zi
4 2π a a
 3/2
1 1 r −r/2a
ψ2p± = | 2, 1, ±1i = √ e sin θe±iφ
8 π a a

For the special perturbation occurring in this problem, it is convenient to combine the
2p± -states to |Xi and |Y i wavefunctions according to
 3/2
|2, 1, 1i + |2, 1, −1i 1 1 x −r/2a
ψ2px = √ = √ e ≡ |Xi
2 4 2π a a
 3/2
|2, 1, 1i − |2, 1, −1i 1 1 y −r/2a
ψ2py = √ = √ e ≡ |Y i.
2i 4 2π a a
Now we discuss the matrix elements of the perturbation hamiltonian −∆mp2x /2m2T .
Note that the above wave-functions are eigenfunctions of the parity operator and due
to the perturbation, the only non-vanishing matrix elements will be those with the same
parity. The following table visualizes which states mix, and which states simply shift as
a result of the perturbation.

1S 2S Px Py Pz
1S m11 m12 0 0 0
2S m12 m22 0 0 0
Px 0 0 m33 0 0
Py 0 0 0 m44 0
Pz 0 0 0 0 m55

Note that the 2s- and 2p- wave functions are degenerate eigenfunctions of the unper-
turbed hamiltonian. Yet we can use non-degenerate perturbation theory due to the fact
that the perturbation does not mix matrix elements of degenerate eigenfunctions. The
only mixing is between 1s- and 2s- wavefunctions that are not degenerate. Also note
that for symmetry reasons m44 = m55 .

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