ECE-656: Fall 2011

Lecture 3:
Density of States
Professor Mark Lundstrom
Electrical and Computer Engineering
Purdue University, West Lafayette, IN USA

8/25/11 1

k-space vs. energy-space

! 3
N 3D (k) d 3k =
4" 3
( )
d k = D3D E dE

N(k): independent of bandstructure

D(E): depends on E(k)

N(k) and D(E) are proportional to the volume, !, but it is common to

express D(E) per unit energy and per unit volume. We will use the
D3D(E) to mean the DOS per unit energy-volume.

2 Lundstrom ECE-656 F11

 about the limits of the integrals

f0 ! 0

BW >> k BT
EF

3 Lundstrom ECE-656 F11

outline

1) Density of states

2) Example: graphene

3) Discussion

4) Summary

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Lundstrom ECE-656 F11
 example: 1D DOS

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example: 1D DOS for parabolic bands

independent of E(k)

parabolic E(k)
!2k 2
E = EC +
2m*

1 2m*
!=
1 dE
=
(
2 E " EC )
D1D (E) = *
!! E " EC ! dk m
Lundstrom ECE-656 F11
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density of states in a nanowire

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2D density of states

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 density of states in a film

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effective mass vs. tight binding

TSi = 3 nm

sp3s*d5 tight binding calculation by

Yang Liu, Purdue University, 2007
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 effective mass vs. tight binding

near subband edge well above subband edge

sp3s*d5 tight binding calculation by Yang Liu, Purdue University, 2007

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exercise

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how does non-parabolicity affect DOS(E)?

non-parabolicity increases DOS (E)

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alternative approach

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 proof

in k-space, we know: can also work in energy-space:

1
nL = $ f ( E ) L # ! ( E " E ) dE
0
k
k

1
nL = !
L k $ f ( E )" ( E # E ) dE
0 k

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interpretation

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counts the states between E and E +dE 16
 outline

1) Density of states

2) Example: graphene

3) Discussion

4) Summary

Lundstrom ECE-656 F11 17

graphene
Graphene is a one-atom-thick planar carbon sheet with a
honeycomb lattice.

source: CNTBands 2.0 on nanoHUB.org

Graphene has an unusual bandstructure that leads to

interesting effects and potentially to useful electronic devices.

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 graphene
E(k) Brillouin zone

Datta: ECE 495N – fall 2008:

https://nanohub.org/resources/5710 (Lecture 21)
https://nanohub.org/resources/5721 (Lecture 22)
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simplified bandstructure near E = 0

We will use a very simple description of the graphene bandstructure,
which is a good approximation near the Fermi level.

ky (valley degeneracy)

kx “neutral point” (“Dirac point”)

We will refer to the EF > 0 case, as

“n-type graphene” and to the EF < 0
case as “p-type graphene.”
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 DOS for graphene: method 2

( )
&
1 1 A
( )
D2 D E = # ! E " Ek = % 2 ' ! (E " Ek )2$ k|| dk||
( )
2
A k|| ||
A 2$ 0
||

%
gV
( )
D2 D E =
! ! 2" F2 & # (E $ E k||
)Ek dEk
|| ||
0

2E
( )
D2 D E =
! ! 2" F2
E>0
( )
D2 D E =
2E
! ! 2" F2

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DOS for graphene: method 1

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DOS for graphene: method 1
k dk
N (k) dk = AgV
!
EdE
= AgV
( )
2
! !" F
= AD2 D ( E ) dE

2E
( )
D2 D E =
! ! 2" F2

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Lundstrom ECE-656 F11

outline

1) Density of states

2) Example: graphene

3) Discussion

4) Summary

Lundstrom ECE-656 F11 24

 density of states

D1D

E
D2D

E
D3D

25 Lundstrom ECE-656 F11

density of states for bulk silicon

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DOS (1022 cm–1 eV–1)

0
–5 –4 –3 –2 –1 0 1 2 3 4 5 6
ENERGY (eV)

The DOS is calculated with nonlocal empirical pseudopotentials

including the spin-orbit interaction.
(Courtesy Massimo Fischetti, August, 2011.)

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Lundstrom ECE-656 F11
 computing the density of states

6
DOS (1022 cm–1 eV–1)

( !k )
2 3

no. of states = $2
0
( 2" #)
–5 –4 –3 –2 –1 0 1 2 3 4 5 6
ENERGY (eV)

Courtesy Massimo Fischetti, August, 2011.

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8
DOS (1021 cm–1 eV–1)

4 me,d1=0.3288 me (gc=6)
density of states for bulk silicon (near the band
α =–1.0 eVedge) 1
–1

2 me,d2=0.2577 me (gc=6)
α2= 0.0 eV–1
0
0.0 0.1 0.2 0.3 0.4 0.5
conduction band valence
ELECTRON band
KINETIC ENERGY (eV)
10 8

8
DOS (1021 cm–1 eV–1)

DOS (1021 cm–1 eV–1)

6
4
mh,d1=0.8076 me (gv=1)
4 me,d1=0.3288 me (gc=6) α1=–0.5 eV–1
α1=–1.0 eV–1 mh,d2=0.7528 me (gv=1)
2
2 me,d2=0.2577 me (gc=6) α2=–0.25 eV–1
α2= 0.0 eV–1
0 0
0.0 0.1 0.2 0.3 0.4 0.5 0.0 0.1 0.2 0.3 0.4 0.5
ELECTRON KINETIC ENERGY (eV) HOLE KINETIC ENERGY (eV)
8

(Courtesy Massimo Fischetti, August, 2011)

DOS (1021 cm–1 eV–1)

6
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Lundstrom ECE-656 F11
4
mh,d1=0.8076 me (gv=1)
α1=–0.5 eV–1
2 mh,d2=0.7528 me (gv=1)
α2=–0.25 eV–1

0
0.0 0.1 0.2 0.3 0.4 0.5
HOLE KINETIC ENERGY (eV)
 outline

1) Density of states

2) Example: graphene

3) Discussion

4) Summary

Lundstrom ECE-656 F11 29

summary

1) When computing the carrier density, the important

quantity is the density of states, D(E).

2) The DOS depends on dimension (1D, 2D, 3D) and

bandstructure.

3) If E(k) can be described analytically, then we can

obtain analytical expressions for DOS(E). If not, we
can compute it numerically.

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 questions

1) Density of states

2) Example: graphene

3) Discussion

4) Summary

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