Escolar Documentos
Profissional Documentos
Cultura Documentos
Prof.P. Ravindran,
Department of Physics, Central University of Tamil
Nadu, India
http://folk.uio.no/ravi/semi2013
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Energy Levels
Vacuum
E=0 Level
Empty LUMO
States
Fermi
Energy
Level
Filled HOMO
States
Core
Bands
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Bonding Forces & Energy Bands in Solids
Energy Band
When 2 Si atoms are brought together:
- Linear combinations of atomic orbitals (LCAO) for two-electron wave functions (1, 2) of
atoms leads to 2 distinct “normal” modes: a higher energy anti-bonding (anti-symmetric)
orbital, and a lower energy bonding (symmetric) orbital (Pauli’s exclusion principle)
- For bonding state: an electron in the region between the two nuclei is attracted by two
nuclei V(r) is lowered in this region electron probability density is higher in this
region than for anti-bonding state It is the lowering of E of bonding state that causes
cohesion of crystal
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Bonding Forces & Energy Bands in Solids
When N Si atoms (1s:2N, 2s:2N, 2p:6N, 3s:2N, 3p:2N electrons) are brought
together to form a solid:
- As interatomic spacing decreases, the energy levels split into bands, beginning with
valence (n=3) shell (sp3 hybridization) 3s & 3p bands grow and merge into a single
band (8N states) As distance between atoms approaches the equilibrium interatomic
spacing, this band splits into 2 bands separated by energy gap (Eg): upper band
[conduction band; 4N states are empty(0K)], lower band [valence band; 4N states are
completely filled with electrons (0K)].
-
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Review of Energy Bands (2)
Holden A., The nature of solids,
Dover Publications, 1965
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Review of Energy Bands (3)
2 2
U r r E r
2m
where U(r) is the periodic effective potential energy that
describes the arrangement of atoms in the crystal.
a+b
e.g. a 1-D crystal could for instance
be represented in the following
manner:
Adapted from: R. Eisberg, R. U a
Resnick, Quantum physics of o
atoms, molecules, solids, nuclei, a+b b
x=0
and particles (2nd ed.), Wiley,
1985
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Review of Energy Bands (4)
Usually given form of a “band diagram” E vs k.
Ec
Eg
Cohen M.L., Chelikowski, J.R., Ev
Electronic Structure and Optical
Properties of semiconductors, Springer,
1989
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Review of Energy Bands (5)
Indirect band gap semiconductors (e.g. Si, Ge, AlAs, GaP, AlSb)
• Direct Semiconductors:
- It has a min. in CB & a max. in VB for the same k value (k=0).
- An electron in the CB min. can fall to an empty state in the VB max.,
giving off energy difference Eg as a photon of light without a change
in k (or p) value. used for semiconductor LED, laser
- ex) GaAs, AlxGa1-xAs(x<0.38), GaAs1-xPx(x<0.45)
• Indirect Semiconductors:
- It has its VB max. at a different k value than its CB min.
- When an electron in the CB min. falls to an empty state in the
VB max., 1) it falls first to defect state (Et) within the band
gap, giving off energy difference as heat with a change in k (or
p) value. 2) it falls then to the VB max., giving off energy
difference Et as a photon of light without a change in k (or p)
value.
- ex) Si, AlxGa1-xAs(1x>0.38), GaAs1-xPx(1x>0.45)
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Direct & Indirect band gaps
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Recombination in direct and indirect bandgap materials
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Direct & Indirect band gaps
An electron at the indirect minimum of the Si CB doesn’t unexcite
directly to the maximum of the VB e suffers a momentum and energy
change. For example, it can be captured by a gap flaw state.
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Energy Band
vacuum level
: electron affinity
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Metals vs. Semiconductors
Metal
Semiconductor
Only the work function is given for the metal.
Semiconductor is described by the work function qΦs, the electron affinity qs, and the
band gap (Ec – Ev).
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
The Fermi-level in semiconductors
Wc Wv
electrons
WF
2
holes
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II 20
Fermi Level in metals
• In metals the Femi level is defined as the top most occupied energy level. Also
defined as the energy level from where one can remove an electron to vaccum
with minimum Energy.
Focus on the electrons near the filled/empty boundary (i.e. top most occupied
band. Each material’s energy state distribution is unique; different EF.
Minimum
energy to
remove E=0 (vacuum level)
electron
from
EF (Fermi level
sample E (Fermi level)
F
Metal 1 Metal 2
The closer an electron is to the vacuum level, the weaker it is bound to
the solid or the more energetic is the electron.
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
ENERGY GAP
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
.:: CALCULATION
For GaAs, calculate a typical (band gap) photon energy and momentum ,
and compare this with a typical phonon energy and momentum that
might be expected with this material.
phonon
photon
E(photon) = Eg(GaAs) = 1.43 ev
E(phonon) = h = hvs / λ
E(photon) = h = hc / λ = hvs / a0
c= 3x108 m/sec λ (phonon) ~a0 = lattice constant =5.65x10-10 m
P= h/ λ h=6.63x10-34 J-sec
Vs= 5x103 m/sec ( velocity of sound)
λ (photon)= 1.24 / 1.43 = 0.88 μm
E(phonon) = hvs / a0 =0.037 eV
P(photon) = h / λ = 7.53 x 10-28 kg-m/sec
P(phonon)= h / λ = h / a0 = 1.17x10-24 kg-m/sec
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Photon energy = 1.43 eV
Phonon energy = 37 meV
Photon momentum = 7.53 x 10-28 kg-
m/sec
Phonon momentum = 1.17 x 10-24 kg-
m/sec
On the other hand, phonons carry very little energy but significant
amount of momentum.
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Absorption Coefficient
I ( x ) I 0 e x Absorption coefficient
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Absorption Coefficient
Absorption
coefficient α is a
material property.
Most of the photon
absorption (63%)
occurs over a
distance 1/α (it is
called penetration
depth δ)
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Absorption Coefficient
Absorption The indirect-gap materials are shown
with a broken line.
Photon energy (eV)
5 4 3 2 1
0.9 0.8 0.7
8
1 10
7 Ge
In0.7Ga0.3As0.64P0.36
1 10
In0.53Ga0.47As
Si
6
1 10
GaAs
Absorption Coefficient (m )
-1
InP
5
1 10
a-Si:H
4
1 10
3
1 10
0.2 0.4 0.6 0.8 1.0 1.2 1.4 1.6 1.8
Wavelength (mm)
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Band edge absorption in indirect gap semiconductor
The indirect transition involve both photons Absorption coefficient of indirect band gap:
and phonons (h, hq ):
For indirect, i () ( Eg ) 2 .
E f Ei , 1
For direct, () ( Eg ) .
d 2
k f ki q.
This is a second-order process, the transition The differences:
rate is much smaller than for direct absorption. 1. Threshold;
2. Frequency dependence.
The differences provide a way to determine
whether the band gap is direct or not.
1. The lowest conduction band minimum 1. vs h close to the band gap at 0.66 eV ;
occurs at the L point (k=/a(1,1,1), not at 2. The straight line extrapolates back to 0.65 eV,
(k=0); which indicates that a phonon(TA)of energy ~
2. Indirect gap=0.66eV, direct gap ()= 0.8eV; 0.01 eV has been absorbed and q (phonon)
= k(electron) at L-point of the Brillouin zone;
3. A tail down to 0.6 eV, this is caused by absor-
ption of the higher frequency and also multi-
Table 3.1 phonons absorption;
4. The temperature dependence of the absorption
edge:
1 Bose-Einstein
f BEBand
P.Ravindran, PHY02E – Semiconductor Physics, January 2014:
( E )Formation Formula
exp( E / k BT ) 1 -II
& direct and indirect gaps
Interband absorption above the band edge
The band structure of silicon Th e interband absorption spectrum of silicon
E E
CB
EC Indirect Bandgap
CB
Direct Bandgap Eg Photon Eg
EC
EV Photon
EV
VB
VB Phonons
–k k –k k
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Absorption Coefficient
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Absorption Coefficient
Indirect bandgap
semiconductors (Si and Ge),
the photon absorption
requires assistant from
lattice vibrations (phonon).
If K is wave vector of lattice
wave, then ħK represents
the momentum associated
with lattice vibration ħK is
a phonon momentum.
kCB k VB phononmomentum K
Thus the probability of photon absorption is not as high as
in a direct transition and the λg is not as sharp as for direct
bandgap semiconductors.
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
Absorption coefficient,
of a material
determines generation
as a function of
wavelength
small for photons
with energy below EG –
no absorption below
band gap.
For photon energies
above Eg, will
determine the critical
thickness of absorption.
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II 34
Absorption coefficient
Absorption coefficient strongly affected by type of
band gap.
Energy, E
Phonon emission
EG + Ep EC
EC
Phonon absorption
h1 h2
EG -- Ep
EV
EV
Crystal momentum, p
Crystal momentum, p
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II
35
Optical band gap
ZnO
(direct band gap)
- direct n = ½
- indirect n = 2
- indirect forbidden n = 3
P.Ravindran, PHY02E – Semiconductor Physics, January 2014: Band Formation & direct and indirect gaps -II