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
k-space vs. energy-space
N 3 D ( k ) d 3k = ! 3 d k = D3 D E dE 4" 3
( )
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.
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about the limits of the integrals
f0 ! 0
BW >> k BT
EF
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outline
1) Density of states 2) Example: graphene 3) Discussion 4) Summary
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example: 1D DOS
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example: 1D DOS for parabolic bands
independent of E(k)
parabolic E(k)
E = EC + !2k 2 2 m*
D1D ( E ) =
1 !!
2 m* E " EC
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!=
1 dE = ! dk
2 E " EC m
*
)
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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:
nL =
$ f ( E ) L # ! ( E " E ) dE
0 k k
nL =
1 ! L k
$ f ( E )" ( E # E ) dE
0 k
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interpretation
counts the states between E and E +dE
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outline
1) Density of states 2) Example: graphene 3) Discussion 4) Summary
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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 kx
(valley degeneracy)
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
D2 D E =
( )
1 1 A ! E " Ek = # || A k|| A 2$
( )
% 2 ' ! ( E " Ek )2$ k|| dk||
0
||
&
D2 D E =
( )
gV
2 ! ! 2" F
&#(E $ E
0
k||
) Ek dEk
||
||
D2 D E =
( )
2E 2 ! ! 2" F
E>0
D2 D E =
( )
2E
2 ! ! 2" F
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DOS for graphene: method 1
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DOS for graphene: method 1
N ( k ) dk = AgV = AgV k dk ! EdE
! !" F
= AD2 D
( ) ( E ) dE
D2 D E =
( )
2E
2 ! ! 2" F
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outline
1) Density of states 2) Example: graphene 3) Discussion 4) Summary
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density of states
D1D
E D2D
E D3D
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density of states for bulk silicon
6
DOS (1022 cm1 eV1)
0 5
1 0 1 2 ENERGY (eV)
The DOS is calculated with nonlocal empirical pseudopotentials including the spin-orbit interaction. (Courtesy Massimo Fischetti, August, 2011.)
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computing the density of states
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DOS (1022 cm1 eV1)
no. of states =
0 5 4 3 2 1 0 1 2 ENERGY (eV) 3 4 5 6
( 2" #)
( !k )
$2
Courtesy Massimo Fischetti, August, 2011.
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10 8 6 4 2 0 0.0 8 me,d1=0.3288 me (gc=6)
1 1
density of states for bulk silicon (near the band =1.0 eVedge)
me,d2=0.2577 me (gc=6) 2= 0.0 eV1 0.1 0.2 0.3 0.4 valence band ELECTRON KINETIC ENERGY (eV) 0.5
conduction band
10 8 6 4 2 0 0.0 8 me,d1=0.3288 me (gc=6) 1=1.0 eV1 me,d2=0.2577 me (gc=6) 2= 0.0 eV1 0.1 0.2 0.3 0.4 ELECTRON KINETIC ENERGY (eV) 0.5
DOS (1021 cm1 eV1)
DOS (1021 cm1 eV1)
DOS (1021 cm1 eV1)
mh,d1=0.8076 me (gv=1) 1=0.5 eV1 mh,d2=0.7528 me (gv=1) 2=0.25 eV1 0.1 0.2 0.3 0.4 HOLE KINETIC ENERGY (eV) 0.5
0 0.0
DOS (1021 cm1 eV1)
(Courtesy Massimo Fischetti, August, 2011)
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mh,d1=0.8076 me (gv=1) 1=0.5 eV1 mh,d2=0.7528 me (gv=1) 2=0.25 eV1 0.1 0.2 0.3 0.4 HOLE KINETIC ENERGY (eV) 0.5
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0 0.0
outline
1) Density of states 2) Example: graphene 3) Discussion 4) Summary
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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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