ECE-656: Fall 2009

Lecture 28:
Balance Equation Approach
Professor Mark Lundstrom
Electrical and Computer Engineering
Purdue University, West Lafayette, IN USA

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 outline

1) Introduction
2) General continuity equation
3) Carrier continuity equation
4) Current equation
5) Summary

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 review

So far in ECE-656, we have discussed three general

topics:

1) Landauer approach to low field transport

2) Boltzmann Transport equation
3) Carrier scattering

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 Landauer approach (1D)
∞
2q
Ix = −
h ∫ T (E )M (E )( f − f )dE
0
1 2

• describes ballistic (T = 1) or diffusive (T < 1) transport

• works best for small bias
• leads to quantized conductance
• readily extended for thermoelectric effects
• can be derived without assuming a bandstructure
(Datta: https://nanohub.org/resources/5346/

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 BTE

∂f ∂f qE x ∂f
+ υx − = Ĉ f
∂t ∂x h ∂kx
• describes semi-classical transport near or far from
equilibrium - hard to solve in general

Ĉ f = −( f − fS ) τ f
• describes semi-classical transport near equilibrium
for specific types of scattering
• gives results that are very similar to the Landauer
approach, easier to include B-field and anisotropic
transport.
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 scattering

     
=
Cˆ f ∑ S ( p′, p ) 1 − f ( p ) − ∑ S ( p, p′) 1 − f ( p′)
p′ p′

• Fermi’s Golden Rule gives S(p’, p) or τf for BTE

• Also gives λ(E) for Landauer approach

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 question
 
• physical quantities are moments of f ( r , p, t )

   
nφ ( r , t ) = ∑ φ ( p ) f ( r , p, t )

p

    
e.g. J n ( r ,=
t) ∑ ( − q )υ f ( r , p, t )

p

Can we bypass solving the BTE and solve directly for

the physical quantities of interest?

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 outline

1) Introduction
2) General continuity equation
3) Carrier continuity equation
4) Current equation
5) Summary

Reference: Chapter 5 of Fundamentals of Carrier Transport by Mark

Lundstorm, Cambridge Univ. Press, 2000.

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 the continuity equation for holes

∂p Jp
A familiar balance equation: = −∇ + G p − R p
∂t q

generation recombination

in-flow

out-flow

∂p ∂t

in-flow -out-flow = - divergence of flux

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balance equations for physical quantities

1
∑ f (x, p, t )
1
nL =
L p
Ix =
L
∑ (− q )υ x f (x, p, t )
p

(E − ε ) f (x, p, t )
1
∑
1
W=
L p
1 nφ ( x, t ) =
L
∑ φ ( p ) f (x, p, t )
p


∂p Jp ∂nφ 
= −∇ + G p − R p → = −∇ Fφ + Gφ − Rφ
∂t q ∂t

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 balance equations examples

  
φ ( p ) 1:=
= nφ (r , t ) n(r , t ) electron continuity equation

     
φ ( p) =
( −q )υ ( p ) : nφ (r , t ) =
J n (r , t ) current balance equation

   
φ ( p) ( p ) : nφ (r , t ) W (r , t ) kinetic energy balance equation
E=

∂nφ 
= −∇ Fφ + Gφ − Rφ
∂t
What are the flux, generation rate, and recombination
rate associated with the quantity nϕ?
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 moments of the BTE (1D)

∂f ∂f qE x ∂f
+ υx − = Ĉ f
∂t ∂x h ∂kx

no explicit generation-
recombination terms,
but…
∂f ∂f ∂f
φ (px ) + φ (px )υ x − qE xφ (px ) = φ (px )Ĉ f
∂t ∂x ∂px

∂f 1 ∂f 1 ∂f
∑ φ ( px ) + ∑ φ (px )υ x + ∑ − qE xφ (px ) = ∑ φ (px )Ĉ f
1 1
L px ∂t L px ∂x L px ∂px L px
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 moments of the BTE (1D)
∂f 1 ∂f 1 ∂f
∑ φ ( px ) + ∑ φ (px )υ x + ∑ − qE xφ (px ) = ∑ φ (px )Ĉ f
1 1
L px ∂t L px ∂x L px ∂px L px

∂f ∂  1  ∂nφ ( x, t )
φ (px ) =  ∑ φ (px ) f ( x, px , t )  =
1
∑ ∂t ∂t  L px ∂t
L px 

φ (px ) f (x, px , t )
1
nφ ≡
L
∑
px

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 moments of the BTE (1D)
∂f 1 ∂f 1 ∂f
∑ φ ( px ) + ∑ φ (px )υ x + ∑ − qE xφ (px ) = ∑ φ (px )Ĉ f
1 1
L px ∂t L px ∂x L px ∂px L px

∂f ∂  1  ∂Fφ
φ (px )υ x =  ∑ φ (px )υ x f (x, px , t ) ≡
1
∑ ∂x ∂x  L px
L px  ∂x

φ (px )υ x f (x, px , t )
1
Fφ ≡
L
∑
px

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 moments of the BTE (1D)
∂f 1 ∂f 1 ∂f
∑ φ ( px ) + ∑ φ (px )υ x + ∑ − qE xφ (px ) = ∑ φ (px )Ĉ f
1 1
L px ∂t L px ∂x L px ∂px L px

∂f  1 ∂ ∂φ 
∑ x ( x )∂p ∑ ∂p ( ( x ) ) L ∑ ∂p
1 1
− qE φ p = − qE x φ p f − f
L px x  px x
L px x 

+∞

d φ (px ) f  = φ (px ) f

1 +∞

L ∫ −∞
−∞
=0

∂f  1 ∂φ 
∑ x ( x )∂p
1
− qE φ p = − qE x − ∑ ∂p f  ≡ −Gφ
L px x  L px x 
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 “generation” of nϕ

 1 ∂φ 
Gφ ≡ − qE x  ∑ f why?
 L px ∂px 

 1 ∂φ   1 ∂φ dpx 
Gφ ≡  ∑ f=  ∑ f
 L px ∂t   L px ∂px dt 

dpx
= − qE x equation of motion in momentum (k) space
dt

 1 ∂φ 
Gφ = − qE x  ∑ f
 L px ∂px 

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 moments of the BTE (recap)
∂f 1 ∂f 1 ∂f
∑ φ ( px ) + ∑ φ (px )υ x + ∑ − qE xφ (px ) = ∑ φ (px )Ĉ f
1 1
L px ∂t L px ∂x L px ∂px L px

∂nφ ∂Fφ
∂x ∂x
−Gφ ?
1
nφ ( x, t ) =
L
∑ φ ( p ) f (x, p, t )
p

φ (px )υ x f (x, px , t )
1
Fφ ≡
L
∑
px

 1 ∂φ 
Gφ = − qE x  ∑ f
 L px ∂px 
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 “recombination”

φ (px )Ĉ f = ?
1
L
∑
px

{
Ĉ f ( px ) = ∑ S (px′ , px ) f (px′ )1 − f (px ) − S (px , px′ ) f (px )1 − f (px′ )
px′
}
S (px′ , px ) f (px′ )1 − f (px ) 
φ (px )Ĉ f = ∑ φ (px )∑ 
1 1
∑
L px L px − S (px , px′ ) f (px )1 − f (px′ ) 

px′ 


To see how to evaluate this expression, for non-degenerate

conditions ([1-f(p)] = 0),see the text, pp. 215-216.
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 phenomenological approach

∂f ∂f qE x ∂f f − f0
+ υx − =
Cˆ f RTA: Ĉ f ≈ −
∂t ∂x  ∂k x τf

f (p) is a “microscopic’’ relaxation time

nφ − nφ0 nφ − nφ0
φ (px )Ĉ f ≡ −
1
L
∑ τφ
Rφ ≡
τφ
px

τφ is a “macroscopic’’ relaxation time

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 the continuity equation for nϕ

∂nφ 
= −∇ Fφ + Gφ − Rφ
∂t

generation recombination

in-flow

out-flow

∂nφ ∂t

in-flow -out-flow = - divergence of flux

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 putting it all together

∂f ∂f qE x ∂f
+ υx − = Ĉ f
∂t ∂x h ∂kx

∂nφ 
= −∇ Fφ + Gφ − Rφ
∂t
1  1 ∂φ 
nφ ( x, t ) = ∑ φ ( p ) f (x, p, t ) Gφ = − qE x  ∑ f
L p  L px ∂px 
nφ − nφ0
φ (px )υ x f (x, px , t )
1
Fφ ≡
L
∑ Rφ ≡
τφ
px

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 outline

1) Introduction
2) General continuity equation
3) Carrier continuity equation
4) Current equation
5) Summary

We will work this out in 1D. See Lundstrom, for 3D.

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 0th moment of the BTE (1D)

1
nφ ( x, t ) =
L
∑ φ ( p ) f (x, p, t ) φ ( p) = 1
p

Ix
Fφ ≡ ∑ φ (px )υ x f =
1
nφ ( x, t ) = nL ( x, t )
L px (− q )

 1 ∂φ  nφ − nφ0 nL − nL0
Gφ = − qE x  ∑ f= 0 Rφ ≡ = =0
 L px ∂px  τφ τn

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 0th moment of the BTE
φ ( p) = 1

∂nφ dFφx ∂nL (x, t ) d [I nx (− q )]

=− + Gφ − Rφ → =−
∂t dx ∂t dx

∂nL (x, t ) 1 dI nx
=
∂t q dx

In steady-state, the current is constant because we have

assumed that there is no generation-recomination of electrons.
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 outline

1) Introduction
2) General continuity equation
3) Carrier continuity equation
4) Current equation
5) Summary

We will work this out in 1D. See Lundstrom, FCT, for 3D.

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 1st moment of the BTE
1
nφ ( x, t ) =
L
∑ φ ( p ) f (x, p, t ) φ ( p ) = px
p

nφ ( x, t ) = Px ( x, t ) = nL px

∑ φ (px )υ x f (x, px , t ) = pxυ x f (x, px , t ) ≡ 2W

1 1
Fφ ≡
L L
∑
px px

Fφ = 2W = nL pxυ x

 1 * 2 
 W = nL 2 m υ x 
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 1st moment of the BTE

φ ( p ) = px nφ ( x, t ) = Px Fφ = 2W = nL pxυ x

nφ − nφ0 Px − Px0 P
Rφ ≡ = = x
τφ τm τm

 1 ∂φ 
Gφ = − qE x  ∑ f  = (− q )nLE x
 L px ∂px 

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 1st moment of the BTE

φ ( p) = 1

Px
nφ ( x, t ) = Px Fφ = 2W = nL pxυ x Rφ = Gφ = (− q )nLE x
τm

momentum balance equation

∂nφ dFφx ∂Px (x, t ) d (2W ) Px

=− + Gφ − Rφ → =− − nL qE x −
∂t dx ∂t dx τm

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 current equation
∂Px (x, t ) d (2W ) P
=− − nL qE x − x
∂t dx τm

(− q )
Px = nL px = nL m υ x*
I x = (− q )nL υ x Ix = *
Px
m

∂I x (x, t ) 2 q dW nL q 2 I
= * + * Ex− x
∂t m dx m τm

∂I x (x, t ) nL q 2 τ m 2 q τ m dW q τm
Ix + τ m = Ex+ µn ≡
∂t m *
m* dx m*
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 drift-diffusion equation

∂I x (x, t ) dW
Ix + τ m = nL qµnE x + 2 µn
∂t dx

assume:
∂I x (x, t )
τm << I x
∂t

q τm
*
= µ n
µ n ≈ 1000 cm 2
/V-s, m * = m0 → τ m = 0.5 ps
m

1
f << = 2 THz
τm

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 drift-diffusion equation
∂I x (x, t ) dW
Ix + τ m = nL qµnE x + 2 µn
∂t dx

assume:
∂I x (x, t ) 1 kBT
τm << I x W = nL m* υ x2 ≈ nL T = constant
∂t 2 2

d (nL kBT ) dn
I x = nL qµnE x + µn = nL qµnE x + kBTµn L
dx dx

dnL kBT
I x = nL qµnE x + qDn Dn = µn
dx q
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 DD equation with temperature gradients
assume:
∂I x (x, t ) 1 * 2 kBT
τm << I x W = nL m υ x ≈ nL T ≠ constant
∂t 2 2

dW
I x = nL qµnE x + 2 µn
dx
dW d  kBT  d
2 µn = 2 µ n  nL  = µn (nL kBT )
dx dx  2  dx

2m*k BT π ( Fn −ε ) kBT
=nL N=
1D e
( Fn −ε ) kBT
=e nL ( x, T )

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DD equation with temperature gradients (ii)
dW
I x = nL qµnE x + 2 µn
dx

dW d  ∂nL dT ∂nL dT 
2 µn = µn (nL kBT ) = µn  kBT + nL kB + kBT
dx dx  ∂x dx ∂T dx 

2m*k BT π ( Fn −ε ) kBT
nL ( x, T ) = e


2 µn
dW
= kBTµn
∂nL 
+ nL kBTµn  2 −
(Fn − ε ) dT

dx ∂x  kBT  dx

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 final current equation

dnL dT
I x = nL qµnE x + qDn − ST
dx dx
q τm
µn =
m*
kBT
Dn = µn
q
kB  (EF − ε )
ST = nL qµn 2 − 
( )
− q kBT 
(Soret coefficient)
Note error in eqn. (5.101), p. 236 of Lundstrom)

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 Seebeck coefficient

assume dnL/dx = 0, and solve for Ex:

dnL dT
I x = nL qµnE x + qDn − ST
dx dx
Ix ST dT
Ex= +
nL qµn nL qµn dx
recall: Lecture 8
dT
E x = ρ0 I x + S kB
dx S1D = − (r + 1) − ηF 
q

S = B [2 − ηF ] λ (E )= λ0 (E k BT )
k r

(− q )
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 outline

1) Introduction
2) General continuity equation
3) Carrier continuity equation
4) Current equation
5) Summary

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 moments of the BTE

∂f ∂f qE x ∂f ∂nφ 
+ υx − = Cf ⇒
ˆ = −∇ Fφ + Gφ − Rφ
∂t ∂x  ∂k x ∂t

∂nL (x, t ) dI nx
= φ (px ) = 1 = px0 0th moment
∂t dx

∂I x (x, t ) dW p1x
Ix + τ m = nL qµnE x + 2 µn φ (px ) = (− q ) *
∂t dx m
1st moment
Now we need an equation for W ….

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 terminating the hierarchy

Zeroth moment brings in the first moment

First moment brings in the second moment

pxυ x
f (x, px , t ) = nLu xx u xx ≈ kBT
1
W=
L
∑ 2 2
px

But what is T? Answer: Near equilibrium: T≈ TL

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 questions

1) Introduction
2) General continuity equation
3) Carrier continuity equation
4) Current equation
5) Summary

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