"The group IV silicon-germanium random alloys differ in several respects from other
material combinations treated in this volume. One of the most characteristic features
of this material combination concerns bulk Si1-xGex:
Si and Ge are miscible over the complete range of compositions. However, the large
splitting of the solidus/liquidus phase boundary makes it almost impossible to pull
bulk crystals of acceptable radial and axial homogeneity in a composition range that
differs from the pure materials by more than a few atomic percent. Hence, interest
in bulk alloys, which undoubtedly existed in the 1960s and early 1970s for a variety
of reasons, soon waned both because of the rapid switching from Ge to Si as the dominant
device material and because of the fundamental difficulties of providing high-quality
Si1-xGex substrates. For these reasons, many of the available
data concerning the physical properties of bulk Si1-xGex
were recorded more than 30 years ago, some of them on material of doubtful crystal
quality, especially in the composition range around x = 50%. Material quality
and composition-dependent dopant segregation are also the main reason for the almost
complete lack of data concerning the dopant-dependence of basic material parameters,
such as carrier mobility or fundamental energy gap. Except for a few new attempts
toward employing Si1-xGex : bulk alloys with moderate
compositions for thermoelectric and optoelectronic devices, only minor activities
became known in that direction in the last 20 years or so.
On the other hand,
the development of low-temperature growth techniques, such as molecular beam epitaxy
or chemical vapor deposition, and the new concepts of energy band engineering (first
emerged for III-V materials in the seventies and eighties) led to a fast increase
of the number of groups dealing with thin Si1-xGex films.
These films are usually deposited on an Si substrate. Because of the inherent lattice
mismatch of around 4% between pure Si and pure Ge, such films are tetragonally distorted,
when grown to a thickness below the critical value for the onset of misfit dislocations.
These films begin to relax to their intrinsic cubic lattice constant, once the critical
thickness is exceeded. Hence depending on the thickness of a Si1-xGex
film at a given composition (and other growth parameters that rule kinetic limitations),
such films can be either biaxially strained or strain-relaxed. Strain-relaxed films
can be considered as sort of a virtual "bulk55 substrate. With the art of epitaxial
growth rapidly advancing, it was soon recognized that strain is an as important material
parameter as composition in the Si1-xGex heterostructure
system. Many parameters, such as band gaps, band offsets, effective masses, and so
on, are strongly strain-dependent, making strain control a vital necessity for any
kind of energy band engineering conceivable in these materials. The advantages gained
by the introduction of thin Si1-xGex films in their basic
compatibility with standard silicon technologies have made this heterostructure system
an extremely interesting candidate for production devices. The first commercial products
in the high-frequency analog market segment were introduced in spring 1998".
Schaffler F. (2001)
This partiton
reflects the contrast between the technical relevance of strained Si1-xGex
thin films and the quite limited interest in bulk alloys. Where strain-dependent data
are given, they are restricted to biaxial strain in the (001) plane, which corresponds
to pseudomorphic growth on a (001)-oriented substrate. This is presently the only
orientation of technical relevance, but references to other surface orientations are
given, when available. Also, data that are important for the relaxation of Si1-xGex
on Si, such as critical thickness or misfit dislocation glide velocities, are incorporated.
The more detailed part of this chapter is preceded by a table of 300 K bulk data,
which also repeats the most basic properties of elemental Si and Ge for comparison.
Several parameters, such as the lattice constant, vary almost linearly between the
constituents, expressing their close chemical similarity. Other parameters, such as
the band gap or the effective electron masses, do not, because the general conduction
band structure changes from Si-like to Ge-like at x = 85%. The variation of the room
temperature bulk parameters with composition, as listed in the table, gives a quick
guide to where linear variation can be expected and where not. In any case, the more
detailed plots in the second part should be consulted, especially when dealing with
strained films of Si1-xGex alloys.
Remarks | Referens | |||
Crystal structure | Si (x=0) | Diamond | 300 K | see also Si. Basic Parameters |
Ge (x=1) | Diamond | 300 K | see also Ge. Basic Parameters | |
Si1-xGex | Diamond (random alloy) | |||
Group of symmetry | Si (x=0) | Oh7-Fd3m | 300 K | see also Si. Basic Parameters |
Ge (x=1) | Oh7-Fd3m | 300 K | see also Ge. Basic Parameters | |
Si1-xGex | Oh7-Fd3m | |||
Number of atoms in 1 cm3 | Si (x=0) | 5.0 · 1022 | 300 K | see also Si. Basic Parameters |
Ge (x=1) | 4.42 · 1022 | 300 K | see also Ge. Basic Parameters | |
Si1-xGex | (5.00-0.58x) · 1022 | |||
Remarks | Referens | |||
Bulk modulus | Si1-xGex | (97.9 - 22.8x) GPa | 300 K | Schaffler F. et al.(2001) |
Si (x=0) | 98 GPa | 300 K | see Si. Thermal properties | |
Ge (x=1) | 75 GPa | 300 K | see Ge. Thermal properties | |
Linear thermal expansion coefficien | Si1-xGex | (2.6 + 2.55x) x 10-6 K-1 | x <0.85, 300 K | Schaffler F. et al.(2001) |
Si1-xGex | (-0.89 + 7.53x) x 10-6 K-1 | x >0.85, 300 K | ||
Si (x=0) | 2.6 x 10-6 K-1 | 300 K | see Si. Thermal properties | |
Ge (x=1) | 5.9 x 10-6 K-1 | 300 K | see Ge. Thermal properties | |
Debye temperature | Si1-xGex | (640 - 266x) K | 300 K | Schaffler F. et al.(2001) |
Si (x=0) | 640 K | 300 K | see Si. Thermal properties | |
Ge (x=1) | 374 K | 300 K | see Ge. Thermal properties | |
Melting point | Si1-xGex (solidus) | Ts![]() | solidus, 300 K | Stohr & Klemm (1954) |
Si1-xGex (liquidus) | Tl ![]() | liquidus, 300 K | Stohr & Klemm (1954) | |
Si (x=0) | 1412 K | 300 K | see Si. Thermal properties | |
Ge (x=1) | 937 K | 300 K | see Ge. Thermal properties | |
Specific heat | Si1-xGex | (19.6 + 2.9x) J mol-1 K-1 | Schaffler F. et al.(2001) | |
Si (x=0) | 19.6
J mol-1 K-1 0.7 J g-1 K-1 | 300 K | ||
Ge (x=1) | 22.5
J mol-1 K-1 0.31 J g-1 K-1 | 300 K | ||
Thermal conductivity | Si1-xGex | ![]() | 0.2 < x <0.85;
300 K. see also Thermal conductivity vs. composition | Schaffler F. et al.(2001) |
Si (x=0) | 1.3 W cm-1 K-1 | 300 K | see Si. Thermal properties | |
Ge (x=1) | 0.58 W cm-1 K-1 | 300 K | see Ge. Thermal properties | |
Thermal diffusivity | Si (x=0) | 0.8 cm2 s-1 | 300 K | see Si. Thermal properties |
Ge (x=1) | 0.36 cm2 s-1 | 300 K | see Ge. Thermal properties | |
Thermal expansion coefficient | Si1-xGex | α = (2.6 + 2.55x) x 10-6 K-1 | x < 0.85, 300 K | Zhdanova et al. (1967). |
Si1-xGex | α = (7.53 - 0.89x) x 10-6 K-1 | x > 0.85, 300 K | Zhdanova et al. (1967). |
| ||||
Density | Si1-xGex | (2.329+3.493x-0.499x2)g cm-3 | 300 K | Schaffler F. et al.(2001) |
Si (x=0) | 2.329 g cm-3 | 300 K | see also Si. Basic Parameters | |
Ge (x=1) | 5.323 g cm-3 | 300 K | see also Ge. Basic Parameters | |
Surface microhardness | Si1-xGex | (1150 - 350x) kg mm-2 | 300 K, using Knoop's pyramid test | Schaffler F. et al.(2001) |
|
Dielectric constant (static) | Si (x=0) | 11.7 | 300 K | Schaffler F. et al.(2001) |
Ge (x=1) | 16.2 | 300 K | ||
Si1-xGexSi1-xGex | 11.7 + 4.5x | 300 K | ||
Infrared refractive index n(λ) | Si1-xGexSi1-xGex |
n ![]() | 300K | Schaffler F. et al.(2001) |
Si (x=0)Si (x=0) | n = 3.42 | 300K | see Si. Refractive index | |
n = 3.38(1 + 3.9·10-5·T) | 77K < T < 400 K | |||
Ge (x=1) | n = 4.0 | 300K | see Ge. Refractive index | |
Radiative recombination coefficient | Si (x=0) | 1.1 x 10-14 cm3 s-1 | 300 K | see Si. Optical properties |
Ge (x=1) | 6.4 x 10-14 cm3 s-1 | 300 K | see Ge. Optical properties | |
Optical photon energy | Si1-xGex | (63 - 8.7x) meV | Si - Si, 300 K | Schaffler F. et al.(2001) |
(35.+2.0x) meV | Ge-Ge, 300 K | |||
![]() | Si-Ge, 300 K | see also Si1-xGex. Optical phonon Raman signals | ||
Si (x=0) | 63 meV | 300 K | see Si. Optical properties | |
Ge (x=1) | 37 meV | 300 K | see Ge. Optical properties | |
|
Effective electron mass (longitudinal)ml | Si1-xGex | 0.92mo | 300K, x < 0.85 | Schaffler F.(2001) |
0.159mo | 300K, x > 0.85 | |||
Effective electron mass (transverse)mt | Si1-xGex | 0.19mo | 300K, x < 0.85 | Schaffler F.(2001) |
0.08mo | 300K, x > 0.85 | |||
Effective mass of density of states mcd=M2/3
mc (for all valleys of conduction band) | Si1-xGex | 1.06mo | 300K, x < 0.85 | Son et al. (1994);
Son et al. (1995) |
1.55mo | 300K, x > 0.85 | |||
Effective mass of the density of states mc=(ml+mt2)1/3 (in one valley of conduction band) | Si1-xGex |
![]() | 300K, x < 0.85 | Son
et al. (1994); Son et al. (1995) |
0.22mo | 300K, x > 0.85 | |||
Effective hole masses (heavy) mhh | Si (x=0) | 0.537 mo | 4.2 K | see also Si. Effective Masses |
Ge (x=1) | 0.33 mo | see also Ge. Effective Masses | ||
Effective hole masses (light) mlh | Si (x=0) | 0.153 mo | see also Si. Effective Masses | |
Ge (x=1) | 0.0430 mo | see also Ge. Effective Masses | ||
Effective hole masses (spin-orbit-split ) mso | Si1-xGex | (0.23-0.135x) mo | 300 K | Schaffler F.(2001) |
Si (x=0) | 0.234 mo | see also Si. Effective Masses | ||
Ge (x=1) | 0.095(7) mo | 30 K | see also Ge. Effective Masses | |
Effective mass of conductivity mcc= 3/(1/ml+2/mt) | Si1-xGex | ![]() | 300K, x < 0.85 | Son et al. (1994);
Son et al. (1995) |
![]() | 300K, x > 0.85 | |||
Lattice constant a(x) | Si1-xGex | ( 5.431 + 0.20x + 0.027x2) A | 300 K | Dismukes et al. (1964b) |