2.4.2 Band Parameters
Through previous band structure calculations [62], we calculate the band offset by
using the following equations.
Valence Bands: The valence band offsets for a strained Si
1-x
Ge
x
layer on a relaxed
Si
1-y
Ge
y
layer can be expressed as [62-64]:
,
0.74 0.07
hh
E
x y
y x
y
(2.16)
2
3
2
3
2
3
2
3
2
3
2
,
0.3
0.289
0.142
0.683 2.58
3.21
1.24
0.354 3.77
8.79
2.46
0.435 0.704
2.439
1.295
1 2.7
28.1
lh
E
x y
y
y
y
y
y
y
x
y
y
y
y
y
y
x
x
y
y
(2.17)
if z > 0.5 and
0.5
x z
, which covers the SiGe composition range of our interest.
The valence band energy positions of the strained Ge well and SiGe barrier
relative to the relaxed Si
1-z
Ge
z
buffer can be calculated using Eq. (2.16) for the heavy
hole and Eq. (2.17) for the light hole;, thus the offsets of the heavy hole and light hole
valence bands, ΔE
v,hh
and ΔE
v,lh
, between the well and barrier can be extracted.
Direct Conduction Bands: The direct band gap energies (with the relevant conduction
minimum at the Г’
2
point) of bulk Ge and Si are 0.8 eV and 4.175 eV respectively at
room temperature [65]. The direct band gap energy of SiGe is linearly interpolated
between the value of bulk Ge and Si here, thus the band offset between the Ge well
and Si
1-x
Ge
x
barrier can be expressed as
h h
v
c
E
x
E
,
,
)
8
.
0
175
.
4
(
.
(2.10)
This interpolation does not consider the strain effect on the conduction band.
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