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Luis A. Anchordoqui
Lesson V
March 5, 2019
LAST CLASS
Schrodinger: WEforSAW
A Wave Equation Electrons
∂ ∂
Eψ = !ωψ = −j! ψ px ψ = !kψ = j! ψ
∂t ∂x
E=
p2
(free-particle)
Notation ) i = j
2m
Quantum Intuition
0 for x < 0
V (x) = (1)
254 Chapter 6
V 0 for
The Schrödinger Equation
x≥0
ger Equation
(a )
Figure 6-24 (a) A potential
Energy
(a ) Energy
step. Particles are incident
E
on the step from the left V (x ) = V 0
moving toward the right,
V (x ) = V 0
each with total energy E
V (x ) = 0
V (x ) = 0 E ! V0 . (b) The wave
0 x
transmitted into region II is
0 x
I a decreasing exponential.
II
However, the value of R in
this case is 1 and no net ψ(x )
(b ) ψ(
energy
x) is transmitted. (b )
0 x
0 x
I II
e 6-22 (a) A potential step. Particles are incident on the step from the left toward the
each with total energy E ! V0 . (b) The wavelength of the incident wave (Region I) is
r than that of the transmitted wave (Region II). Since k2 " k1 , ƒ C ƒ 2 ! ƒ A ƒ 2; however,
Now let us consider the case shown in Figure 6-24a, where E ! V0 . Clas
nsmission coefficient T " 1. we expect all particles to be reflected at x " 0; however, we note that k in E
L. A. Anchordoqui (CUNY) Quantum Mechanics 3-5-2019 4 /235
Scattering in one dimension Step potential
ψA = Ae−jk1 x ψC = Ce−jk1 x
A Simple
Potential Step ψB = Be−jk1 x
E = Eo
V
CASE I : Eo > V
E=0
Region 1 Region 2
x
x=0
!2 ∂ 2 ψ 2mEo
In Region 1: Eo ψ = − k12 =
2m ∂x2 !2
!2 ∂ 2 ψ 2m (Eo − V )
In Region 2: (Eo − V ) ψ = − k22 =
2m ∂x2 !2
10
ψA = Ae−jk1 x ψC = Ce−jk1 x
A Simple
Potential Step ψB = Be−jk1 x
E = Eo
V
CASE I : Eo > V
E=0
Region 1 Region 2
x
x=0
∂ψ is continuous: ∂ ∂ k2
ψ(0) = ψ2 (0) A−B = C
∂x ∂x ∂x k1
11
ψA = Ae−jk1 x ψC = Ce−jk1 x
A Simple
Potential Step ψB = Be−jk1 x
E = Eo
V
CASE I : Eo > V
E=0
Region 1 Region 2
x
x=0
A+B =C
B 1 − k2 /k1 C 2
= =
A 1 + k2 /k1 A 1 + k2 /k1
k2
k1 − k 2 2k1 A−B = C
= = k1
k1 + k2 k1 + k2
12
2
J = ρv = q |ψ| (!k/m)
ψA = Ae−jk1 x ψC = Ce−jk1 x
A Simple
Potential Step ψB = Be−jk1 x
E = Eo
V
CASE I : Eo > V
E=0
Region 1 Region 2
x
x=0
! !2
Jref lected JB |ψB |2 (!k1 /m) !! B !!
Reflection = R = = = =
Jincident JA |ψA |2 (!k1 /m) ! A !
! !2
Jtransmitted JC |ψC |2 (!k2 /m) !! C !! k2
Transmission = T = = = =
Jincident JA |ψA |2 (!k1 /m) ! A ! k1
B 1 − k2 /k1 C 2
= =
A 1 + k2 /k1 A 1 + k2 /k1
15
ψA = Ae−jk1 x ψC = Ce−jk1 x
A Simple
Potential Step ψB = Be−jk1 x
E = Eo
V
CASE I : Eo > V
E=0
Region 1 Region 2
x
x=0
! !2 ! !
!B ! ! k 1 − k 2 !2
1 Reflection = R = !! !! = !! !
A k1 + k2 !
T
Transmission = T = 1 − R
T +R=1
4k1 k2
= 2
R |k1 + k2 |
1 "
k2 V
= 1−
Eo = V Eo = ∞ k1 Eo
16
ψA = Ae−jk1 x ψC = Ce−κx
A Simple
Potential Step ψB = Be−jk1 x
V
CASE II : Eo < V E = Eo
E=0
Region 1 Region 2
x
x=0
!2 ∂ 2 ψ 2mEo
In Region 1: Eo ψ = − k12 =
2m ∂x2 !2
!2 ∂ 2 ψ 2m (Eo − V )
In Region 2: (Eo − V ) ψ = − κ2 =
2m ∂x2 !2
20
ψA = Ae−jk1 x ψC = Ce−κx
A Simple
Potential Step ψB = Be−jk1 x
V
CASE II : Eo < V E = Eo
E=0
Region 1 Region 2
x
x=0
∂ψ is continuous: ∂ ∂ κ
ψ(0) = ψ2 (0) A − B = −j C
∂x ∂x ∂x k1
21
ψA = Ae−jk1 x ψC = Ce−κx
A Simple
Potential Step ψB = Be−jk1 x
V
CASE II : Eo < V E = Eo
E=0
Region 1 Region 2
x
x=0
A+B =C
B 1 + jκ/k1 C 2
= =
A 1 − jκ/k1 A 1 − jκ/k1
κ
A − B = −j C
! !2 k1
!B !
R = !! !! = 1 T =0
A
Total reflection Transmission must be zero
22
! !2 ! !
!B ! ! k 1 − k 2 !2
Ref lection = R = !! !! = !! !
A k1 + k2 !
Region 1 Region 2
4 k1 k2
T ransmission = T = 1 − R = 2
|k1 + k2 |
PARTIAL REFLECTION
CASE II : Eo < V
Region 1 Region 2
TOTAL REFLECTION
24
R=1 T =0
T ̸
=0
23
V
CASE II : Eo < V E = Eo
E=0
−a 0 a
Region 1 Region 2 Region 3
!2 ∂ 2 ψ 2mEo
In Regions 1 and 3: Eo ψ = − k12 =
2m ∂x2 !2
!2 ∂ 2 ψ 2m(V − Eo )
In Region 2: (Eo − V )ψ = − κ2 =
2m ∂x2 !2
! !2
!F ! 1
for Eo < V : T = !! !! =
A 1+ 1 V2
4 Eo (V −Eo ) sinh2 (2κa)
25
A Rectangular
Potential Step
E U
for Eo < V :
! !2
!F ! 1
T = !! !! =
A 1+ 1 V2
4 Eo (V −Eo ) sinh2 (2κa)
" #2
sinh2 (2κa) = e2κa − e−2κa ≈ e−4κa
! !2
!F ! 1
T = !! !! ≈ 2 e−4κa
A 1 + 14 Eo (VV −Eo )
26
−1
T = 4e−2(12.6 nm )(0.18 nm)
= 4(0.011) = 4.4%
Question: What will T be if we double the width of the gap?
30
Schrodinger Equations
Key to solving for the wave function of a particle hitting a potential barrier is finding the Schrodinger equations which
describe the system. First, define the energy potential, V (x) , of the system as this:
⎧0 , x<0
V (x) = ⎨ V0 ,
⎩ 0 <x<a (1)
0, x>a
Writing the wave function of the particle as ψ1 (x) for x < 0 , ψ2 (x) for 0 < x < a , and ψ3 (x) for x > a , the
Schrodinger equations for x < 0 , 0 < x < a , and x > a are respectively:
ℏ2 d2 (2)
Eψ1 (x) = − ψ1 (x)
2m dx2
ℏ2 d2 (3)
Eψ2 (x) = − ψ2 (x) + V0 ψ2 (x)
2m dx2
ℏ2 d2 (4)
Eψ3 (x) = − ψ3 (x)
2m dx2
This can be simplified, considering the wavenumbers, k1 and k2 , of the wave function for inside and outside the barrier
respectively. Since k1 2 = 2mE/ ℏ 2 and k2 2 = 2m(E − V0 )/ ℏ 2 , this can be said of the wave function of a particle
with L. V .
≥Anchordoqui
E A. (CUNY) Quantum Mechanics 3-5-2019 20 / 35
ℏ d (3)
Eψ2 (x)
Scattering in = −dimensionψ2 (x)
one The+ins ψ2 (x)
V0 and outs of tunneling
2m dx2
ℏ2 d2 (4)
Eψ3 (x) = − ψ3 (x)
2m dx2
This can be simplified, considering the wavenumbers, k1 and k2 , of the wave function for inside and outside the barrier
respectively. Since k1 2 = 2mE/ ℏ 2 and k2 2 = 2m(E − V0 )/ ℏ 2 , this can be said of the wave function of a particle
with E ≥ V0 .
d2 (5)
0 = ψ1 (x) + k1 2 ψ1 (x)
dx2
d2 (6)
0 = ψ2 (x) + k2 2 ψ2 (x)
dx2
d2 (7)
0 = ψ3 (x) + k1 2 ψ3 (x)
dx2
Notice, however that if E < V0 , k2 is imaginary and thus no longer an observable. By convention therefore, κ, defined
by κ2 = 2m(V0 − E)/ ℏ 2 , is used instead for E < V0 . The di!erential equations defining the wave function of a
particle with insu!icient energy are thus:
http://tediousderivations.blogspot.com/2013/08/rectangular-potential-barrier.html
d2 (8)
0= ψ1 (x) + k1 2 ψ1 (x)
dx2
d2 (9)
0= ψ2 (x) − κ2 ψ2 (x)
dx2
d2 (10)
0= ψ3 (x) + k1 2 ψ3 (x)
dx2
For E ≥ V0 , to find the wave function of the particle, equations (5) , (6) , and (7) must be solved. These are
homogeneous second-order linear di!erential equations and have the following general solutions:
where A , B , C , D , F , and G are constants and rA = rF and rB = rG are the two solutions to the equation
r2 + k1 2 = 0 while rC and rD are the two solutions to the equation r2 + k2 2 = 0 .
L. A. Anchordoqui (CUNY)
(x) = Quantum
A ik1 x +Mechanics
B −ik1 x 3-5-2019 (14)
22 / 35
Scattering in one dimension The ins and outs of tunneling
Notice, considering Euler's formula, that Aeik1 x , C eik2 x , and F eik1 x represent waves travelling in the positive
direction while Be−ik1 x , De−ik2 x , and Ge−ik1 x represent waves travelling in the negative direction. Since reflection by
the barrier is conceivable, it is possible to have wave components travelling in the negative direction for x < a , but
there is no reason to have waves doing so for x > a . Thus, G = 0 .
To solve for B and F in relation to A , impose these four boundary conditions to ensure that the wave function is a
smooth curve as x → 0 and as x → a :
A+B = C +D (20)
ik1 A − ik1 B = ik2 C − ik2 D (21)
C eik2 a + De−ik2 a = F eik1 a (22)
ik2 C eik2 a − ik2 De−ik2 a = ik1 F eik1 a (23)
k1 A + k1 B = k1 C + k1 D (24)
k1 A − k1 B = k2 C − k2 D (25)
k2 C e i k2 a + k2 De−ik2 a = k2 F eik1 a (26)
k2 C e k2 − k2 De−ik2 a = k1 F eik1 a
i a (27)
ns.blogspot.com/2013/08/rectangular-potential-barrier.html
Using Euler's formula to expand e−ik2 a and eik2 a , the following can be derived:
2k1 k2 e−ik1 a A
F = (35)
2k1 k2 cos k2 a − i (k1 2 + k2 2 ) sin k2 a
2 −
2k 1 B = k 1 k2 2 F i(k1 −k2 )a − k1 2 − k2 2 F i(k1 +k2 )a (36)
e e
2k 2 2k 2
4k1 k2 e−ik1 a B
= (e−ik2 a − eik2 a ) F (37)
k1 2 − k2 2
Using Euler's formula to expand e−ik2 a and eik2 a , the following can be derived:
2k1 k2 e−ik1 a B
=F (38)
−i (k1 2 − k2 2 ) sin k2 a
Considering equations (30) and (31) alongside equation (35) , C and D can also be solved for in relation to A , but
since only A , B , and F are needed to calculate the reflection and transmission coe!icients, the derivations of C and
D are omitted here. In order to find the reflection and transmission coe!icients, the wave function must be first written
in terms of its incident, reflected, and transmitted components, ψi (x) , ψr (x) , and ψt (x) respectively.
The reflection and transmission coe!icients, R and T respectively, are defined as follows:
http://tediousderivations.blogspot.com/2013/08/rectangular-potential-barrier.html
jr (43)
R=−
ji
jt (44)
T =
ji
where ji , jr , and jt are the incident, reflected, and transmitted probability currents respectively.
ψr (x) dx
d
ψr ∗(x) − ψr ∗(x) dx
d
ψr (x)
R=− (45)
ψi (x) dx
d
ψi ∗(x) − ψi ∗(x) dx
d
ψi (x)
ψt (x) dx
d
ψt ∗(x) − ψt ∗(x) dx
d
ψt (x)
T = (46)
ψi (x) dx
d
ψi ∗(x) − ψi ∗(x) dx
d
ψi (x)
|B|2
R= (47)
|A|2
|F |2
T = (48)
|A|2
Applying the solutions for B and F found in equations (39) and (35) respectively gives:
Applying the solutions for B and F found in equations (39) and (35) respectively gives:
2
(k1 2 − k2 2 ) sin2 k2 a
R= (49)
2
4k1 2 k2 2 cos2 k2 a + (k1 2 + k2 2 ) sin2 k2 a
4k 1 2 k 2 2
T = (50)
2
4k1 2 k2 2 cos2 k2 a + (k1 2 + k2 2 ) sin2 k2 a
2
(k1 2 − k2 2 ) sin2 k2 a
R= (51)
2
4k1 2 k2 2 + (k1 2 − k2 2 ) sin2 k2 a
4k 1 2 k 2 2
T = (52)
2
4k1 2 k2 2 + (k1 2 − k2 2 ) sin2 k2 a
⎡ ⎤
−1
4k 1 2 k 2 2 (53)
R= +1
⎣( 2− 2 )2 sin2 k a ⎦
k1 k2 2
⎡ (k 1 2 − ⎤
2 −1
2 2
L. A. Anchordoqui (CUNY) k2 ) sin
Quantum k2 a
Mechanics 3-5-2019 29 / 35
1 2
Scattering in one dimension The ins and outs of tunneling
⎡ ⎤
−1
4k 1 2 k 2 2 (53)
R= +1
⎣( 2− 2 )2 sin2 k a ⎦
k1 k2 2
⎡ (k1 2 − k2 2 ) sin2 k2 a ⎤
2 −1
T = +1 (54)
⎣ 2
4k 1 k 2 2 ⎦
Interestingly contrary to classical mechanics, quantum mechanics suggests that the particle may actually be reflected
by the potential barrier, despite having a total energy of equal or greater value than V0 .
For E < V0 , equations (8) , (9) , and (10) must be solved to find ψ1 (x) , ψ2 (x) , and ψ3 (x) . To do this, follow the
methodology employed in the previous section, "If There Is Su!icient Energy". The solutions of equations (8) , (9) ,
and (10) are identical to those of (5) , (6) , and (7) respectively save for the use of iκ in the place of k2 .
Applying the same boundary conditions as in the previous section and manipulating algebra in the same manner, it can
also be found that:
2ik1 κe−ik1 a A
F = (65)
2
(k1 − κ2 ) sinh κa+ 2ik1 κ cosh κa
2ik1 κe−ik1 a A
F = (65)
(k1 2 − κ2 ) sinh κa + 2ik1 κ cosh κa
(In case you are unfamiliar with hyperbolic functions, sinh u = (eu − e−u )/2 is the hyperbolic sine function and
cosh u = (eu + e−u )/2 is the hyperbolic cosine function.) To solve for B in relation to A , consider equations (59) ,
(60) , and (61) .
2 + 2 2 + 2
κ κ
2ik1 B = k1 F e(ik1 +κ)a − k1 F e(ik1 −κ)a (66)
2κ 2κ
4ik1 κe−ik1 a B
= F eκa − F e−κa (67)
k1 2 + κ2
2ik1 κe−ik1 a B
=F (68)
(k1 2 + κ2 ) sinh κa
(k1 2 + κ2 ) sinh(κa)A
B= (69)
L. A. Anchordoqui (CUNY) (k 2 − κQuantum
2 ) sinh κa + 2ik1 κ cosh κa
Mechanics 3-5-2019 32 / 35
Scattering in one dimension The ins and outs of tunneling
2ik1 κe−ik1 a B
=F (68)
(k1 2 + κ2 ) sinh κa
(k1 2 + κ2 ) sinh(κa)A
B= (69)
2
(k1 − κ2 ) sinh κa + 2ik1 κ cosh κa
As in the previous section, the wave function written in terms of its incident, reflected, and transmitted components is:
Furthermore, the reflection and transmission coe!icients, derivable using the same method as in the previous section,
are again given by:
http://tediousderivations.blogspot.com/2013/08/rectangular-potential-barrier.html
L. A. Anchordoqui (CUNY) Quantum Mechanics 3-5-2019 33 / 35
Scattering in one dimension The ins and outs of tunneling
Rectangular Potential Barrier - Tedious Derivations
|B|2
R= (73)
|A|2
|F |2
T = (74)
|A|2
2
(k12 + κ2) sinh2κa
R= (75)
2
(k12 − κ2) sinh2κa + 4k12κ2 cosh2κa
4k12κ2
T = (76)
2
(k12 − κ2) sinh2κa + 4k12κ2 cosh2κa
2
(k12 + κ2) sinh2κa
R= (77)
2
(k12 + κ2) sinh2κa + 4k12κ2
4k12κ2
T = (78)
2
(k12 + κ2) sinh2κa + 4k12κ2
⎡ 4k1 κ Mechanics ⎤
−1
2 2
L. A. Anchordoqui (CUNY) R= Quantum 3-5-2019 (79)
34 / 35
(k1 + κ ) sinh
R = in one dimension
Scattering The ins and outs of tunneling (77)
2
(k12 + κ2) sinh2κa + 4k12κ2
4k12κ2
T = (78)
2
(k12 + κ2) sinh2κa + 4k12κ2
⎡ ⎤
−1
4k12κ2 (79)
R= +1
⎣ ( 2 + κ2) sinh κa
2 2 ⎦
k1
⎡ (k12 + κ2) sinh2κa ⎤
2 −1
T = +1 (80)
⎣ 4k12κ2 ⎦
Contrary to classical expectations which would suggest that the particle has zero probability of travelling beyond
x = 0 , quantum mechanics asserts that the particle has a non-zero probability of tunneling through the rectangular
potential barrier, despite having a total energy less than V0 . This phenomenon marks a major di!erence between
quantum and classical mechanics.
Labels: energy potentials, Euler's formula, hyperbolic functions, probability current, quantum mechanics, rectangular
potential barrier, reflection and transmission coe!icients, Schrodinger equation, tunneling
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