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Bandstructure and
Bandgap Engineering
Elemental Semiconductors
• Si, Ge, Sn
• Ge: 0.67 eV, Si: 1.12 eV, Sn: 0.08 eV
For AxB1-xN Semiconductor
Direct and Indirect band gap
semiconductors
• In a typical quantitative calculation of band structures, the wave function of a
single electron traveling through a perfectly periodic lattice is assumed to be
in the form of a plane wave moving in the x-direction (say) with propagation
constant k, also called a wave vector.
• In quantum mechanics, the electron momentum can be given by k
• The space dependent wave function for the electron is k ( x) U (k x , x)e
jk x x
• Indirect band gap semiconductor: the minima of the conduction band and the
maxima of the valence band occur for different values of k, thus, the smallest
energy transition for an electron requires a change in momentum.
• Direct band gap semiconductors give up the energy released during this
transition (= Eg ) in the form of light used for optoelectronic applications
(e.g., LEDs and LASERs).
It is found that for x=0.38, AlGaAs changes from direct to indirect bandgap
Choice of materials: Bandgap
Engineering (For ternary AlGaAs alloy)
• The binary compound GaAs is a direct material, with a bandgap of
1.43 eV at room temperature.
• In AlAs, the direct Γ minimum is much higher than the indirect X
minimum and this materials is therefore indirect with a bandgap of
2.16 eV at room temperature.
• In ternary alloy AlxGa1-xAs, all of these conduction band minima
move up relative to the valence band as composition x varies from 0
(GaAs) to 1 (AlAs).
• However, the indirect minimum X moves up less than others and for
compositions above 38% Al, this indirect minimum becomes the
lowest lying conduction band.
• Therefore, the ternary alloy AlGaAs is a direct semiconductor for Al
compositions upto 38% and is indirect for higher Al mole fractions.
Choice of Materials: Bandgap
Engineering (For GaAsP alloy)
• GaAsP is a direct bandgap semiconductor to about
GaAs0.55As0.45 and is indirect from this combination to GaP.
This material is often used in visible LEDs in the red portion of
the spectrum.
• Interestingly, however, indirect Ga1-xAsxP including GaP doped
with nitrogen can be used in LEDs with light output in the yellow
to green portions of the spectrum.
• This is possible because nitrogen binds an electron very tightly.
• This confinement in real space (Δx) means that the electron
momentum is spread out in momentum space Δp by the
Heisenberg uncertainty principle.
• As a result, the momentum conservation rules, which generally
prevent radiation recombination in indirect materials, are
circumvented.
Choice of Materials: Bandgap
Engineering (In the blue region of the
spectrum)