Page 1
Fachgebiet Angewandte Nanophysik, Institut für Physik
Contact: [email protected] ; [email protected] : Unterpoerlitzer Straße 38 (Heisenbergbau) (tel: 3748)
www.tu-ilmenau.de/nanostruk
Vorlesung: Thursday 13:00 – 14:30, F 3001Übung: Friday (G), 11:00 – 12:30, C 110
Prof. Yong Lei & Dr. Huaping Zhao & Dr. Rui Xu
(a) (b2)(b1)
UTAM-prepared free-standing one-dimensional surface nanostructures on Sisubstrates: Ni nanowire arrays (a) and carbon nanotube arrays (b).
Nanostrukturphysik (Nanostructure Physics)
Page 2
Übung for:
Class 3: Quantum effects and nanostructures
Class 11: Graphene and 2D atomic-thin nanosheets
Page 3
Übung for:
Class 3: Quantum effects and nanostructures
Page 4
Q1: Predictions of light-metal interaction regarding
wave theory of light?
Page 5
1. The higher the intensity of incident light, the greater the energy of
electrons that are emitted from surface.
2. A light wave of any frequency should be able to knock off
electrons, provided a reasonable intensity is maintained.
3. If the incident light is of low intensity, then the metal surface
must be continuously exposed for some time until enough waves
strike the surface to knock off electrons.
3 predictions from wave theory of light:
Page 6
Q2: What‟s the photoelectric effect and its
experimental observation?
Page 7
Experimental schematic of photoelectric effect
Page 8
Frequency (Hz x1014)
The maximum kinetic energy of the photoelectron varies linearly with frequency with a limiting
frequency, below which no photoelectron is produced. The limiting frequency is known as the
threshold frequency.
Page 9
Q3: Physical and mathematical explanation of the
photoelectric effect?
Page 10
In 1905, physicist Albert Einstein published a paper to explain
light-metal interaction. To quote him:
“In accordance with the assumption to be considered here, the energy
of a light ray spreading out from a point source is not continuously
distributed over an increasing space, but consists of a finite number of
energy quanta which are localized at points in space, which move
without dividing, and which can only be produced and absorbed as
complete units.”
In simple words, he proposed that in photoelectric effect, light did not
behave like a wave, but rather like a particle, which we refer to as a
„photon‟.
• Physical explanation
Page 11
The kinetic energy of photoelectron can be expressed by:
• Mathematical expression
2
max 0
1
2K m h h
hv:the incident photon energy;
hv0 :the minimum energy required to remove an electron from the surface
Light moves like individual particles. The amount of energy carried by a
single photon (light particle) is
E h
h is Planck‟s constant (6.626×10-34J·s) and v is the frequency of light (s-1).
If the speed of light is c (299,792,458 m/s),
hcE
c
Page 12
Einstein won a Nobel Prize for this!
Einstein won Nobel Prize in Physics in 1921 not for his theory of relativity, but
for successfully explaining photoelectric effect using particle nature of light.
Page 13
Q4: Application of the photoelectric effect in solar
cells?
Page 14
Cross section of
solar cell
Energy band diagram
of solar cell
N-Type P-Type P-Type Depletion
zone
Page 15
Q5: What is De Broglie hypothesis?
Page 16
Louis de-Broglie suggested that similar to light dual nature "every
moving matter has an associated wave". The wave associated with
the moving particle is known as matter wave or de-Broglie wave.
According to de Broglie‟s hypothesis, massless photons as well as
massive particles must satisfy one common set of relations, that
connect the energy E with the frequency f, and the momentum p with
the wavelength λ
Page 17
Q6: De Broglie wavelength in terms of momentum?
Page 18
h h
p m
Supposing a particle of mass ′m′ moving with a velocity v carries a
momentum p , it must be associated with the wave of wavelength
The above relation is known as de-Broglie equation and the
wavelength λ is known as de-Broglie wavelength.
Page 19
Q7: De Broglie wavelength in terms of kinetic energy?
Page 20
If a particle has kinetic energy E, then
2 2 221
2 2 2
m pE m
m m
2p mE
2
h h
p mE
Page 21
Q8: De Broglie wavelength of an particle
accelerated by potential difference?
Page 22
If an electron is accelerated by a potential difference of V volts, then its
kinetic energy E is given by
21
2E eV m
2eV
m
2
h h m
m m eV
Page 23
Q9: What is Heisenberg‟s uncertainty principle?
Page 24
The position and momentum of a particle cannot be simultaneously measured
with high precision. There is a minimum (uncertainty) for the product of
position and momentum - likewise a minimum (uncertainty) for product of
energy and time.
2x p
2E t
Complementarity
Energy/Velocity
Position Time
Page 25
momentum precise, x unknown
A sinewave of wavelength λ implies that the
momentum is precisely known.
Wave spreads over all of space: the probability
to find its „position‟ is completely uncertain
avg
x
Adding several waves of different λ together
will produce an interference pattern – localized
wave (precise position). The process spreads
the momentum values (more uncertain
momentum).
Each wavelength represents
a different value of
momentum according to the
De Broglie relationship
h h
p m
Page 26
Q10: How to derive 1D time-dependent
Schrödinger‟s wave equation?
Page 27
For a system, the total energy E can be described by
Where „V‟ is the potential energy and „T‟ is the kinetic energy.
Then, we can rewrite the equation as
E T V
2
2
pE V
m
Considering a complex plane wave (1D):
After multiplying (3) to (2), we get
,
i kx tx t Ae
2
, , , ,2
pE x t x t V x t x t
m
(1)
(2)
(3)
(4)
: wave function,
k: wave number,
i: imaginary unit
: , f is frequency
2 /k
p: momentum,
m: particle mass,
2 f
Schrödinger Equation describes the change of a physical quantity over time in which the
quantum effects like wave-particle duality are significant.
Page 28
As we know from wave-particle duality
2hp
2k
where „λ‟ is the wavelength and „k‟ is the wavenumber. We have
p k
(5)
(6)
2
, , , ,2
kE x t x t V x t x t
m (7)
2
, , , ,2
pE x t x t V x t x t
m (4)
Taking (6) into (4), we have
Page 29
Taking the 1st derivative to x of (3) , we have
,i kx t
ikAe ik x tx
(8)
2
2 2
2,
i kx tk Ae k x t
x
(9)
Taking (9) into (7), we have
2 2
2, , , ,
2E x t x t V x t x t
m x
(10)
,
i kx tx t Ae
(3)
Then taking the 2nd derivative to x, we have
2
, , , ,2
kE x t x t V x t x t
m (7)
Page 30
As we know from wave-particle duality
E (11)
2 2
2, , , ,
2E x t x t V x t x t
m x
(10)
Taking (11) into (10), we have
2 2
2, , , ,
2x t x t V x t x t
m x
(12)
Page 31
Now we take the 1st derivative to t of (3), we have
,i kx t
i Ae i x tt
(13)
Taking (14) into (12), we have
2 2
2, , , ,
2i x t x t V x t x t
t m x
(15)
So we can say that
(14) 1
,x t ii t t
,
i kx tx t Ae
(3)
2 2
2, , , ,
2x t x t V x t x t
m x
(12)
Page 32
From 1D Schrödinger Equation to 3D Schrödinger Equation
3D time-dependent Schrödinger equation
2 2
2, , , ,
2i x t x t V x t x t
t m x
1D time-dependent Schrödinger equation
2 2 22
2 2 2x y z
Page 33
Q11: How to derive 1D time-independent
Schrödinger‟s wave equation?
Page 34
Assuming that the wave function can be written in the form:
,x t x t
Substitute this form of the solution into Schrödinger‟s wave equation (15)
(2)
(1)
2 2
2, , ,
2i x t x t V x x t
t m x
2 2
22i x t x t V x x t
t m x
(3) 2 2
22i x t t x V x x t
t m x
(15)
Page 35
Therefore, we have
(4)
2 2
2
1 1
2i t x V x
t t m x x
The time-dependent portion of equation (4) is then written as
1i t
t t
Since the right side of Equation (4) is a function of position x only and the left
side is a function of time only, each side of this equation must be equal to a
constant. We denote this separation of constant by
Where again the parameter is called a separation constant.
(5)
Page 36
A solution of Equation (5) can be written in the form
/i tt e
(6)
The form of the above solution is a classical exponential form of a sinewave
where is the radian frequency . We have that . Then,
so that the separation constant is equal to the total energy E
of the particle.
2 f /
/ /E
1i t
t t
(5)
E
Page 37
(7)
Now,the time-independent portion of Schrödinger‟s wave equation can be written
from Equation (4) as
Where the separation constant is the total energy E of the particle.
2 2
2
1
2x V x E
m x x
(4)
2 2
2
1 1
2i t x V x
t t m x x
3D time-independent Schrödinger equation
2
2
2V x r E r
m
2 2
22V x x E x
m x
(8)
(9)
2 2 22
2 2 2x y z
Page 38
Q12: What is the physical meaning of the wave
function?
Page 39
we have the wave function
Where is the complex conjugate function. Therefore,
(2)
/,
i E tx t x t x e
(1) 2 *, , ,x t x t x t
* ,x t
/* *,i E t
x t x e
Page 40
Then the product of the wave function and its complex conjugate is given by
/ /* *, ,i E t i E t
x t x t x e x e
Therefore, we have that
(4) 2 2*,x t x x x
is the probability density function and is independent of time.
One major difference between classical and quantum mechanics is that in
classical mechanics, the position of a particle or body can be determined
precisely, whereas in quantum mechanics, the position of a particle found in
terms of a probability.
(3)
Page 41
Q13: What‟s the boundary conditions of the wave
function?
Page 42
Since the function represents the probability density function, then
for a single particle, we must have that
Equation (5) allows us to normalize the wave function and is a boundary
condition to determine some wave function coefficients.
2
, 1x t dx
2
,x t
(5)
Page 43
Q14: Schrödinger‟s wave equation of an electron
in free space?
Page 44
For simplicity, we assume that potential function V(x)=0 for all x. Then, the
time-independent wave equation can be written as
2
2 2
20
mx E V x x
x
2
2 2
20
mEx x
x
A general solution to this differential equation can be written in the form
2 2
exp expix mE ix mE
x A B
(1)
(2)
0V x
Page 45
Recall that the time-dependent portion of the solution is
(4)
/i E tt e
, exp 2 exp 2i i
x t A x mE Et B x mE Et
Then the total solution for the wave function is given by
,x t x t
(3)
(2) 2 2
exp expix mE ix mE
x A B
Page 46
Assume that we have a particle traveling in free space with the +x direction, which will
be described by the +x traveling wave. We can write the traveling-wave solution in
the form
(5) , expx t A i kx t
k is wave number and is 2
k
(4) , exp 2 exp 2i i
x t A x mE Et B x mE Et
0B
, exp 2i
x t A x mE Et
(4)
Page 47
Comparing Equation (5)
with Equation (4)
Therefore, the wavelength is given by
2
h
mE
From de Broglie‟s wave-particle duality principle, the wavelength is also given by
h
p
An electron in free particle with a well-defined energy will also have a well-defined
wavelength and momentum.
(6)
(7)
2
, expx t A i x t
, exp 2i
x t A x mE Et
1 22mE
2
hmE
Page 48
The probability density function is
* *, ,x t x t AA
which is a constant independent of position. This means that, a free
particle with a well-defined momentum can be found anywhere along
X with equal probability. This result is in agreement with the
Heisenberg uncertainty principle in that a precise momentum implies
an undefined position.
(5) , expx t A i kx t
Page 49
Q15: Schrödinger‟s wave equation of an electron
in Infinite potential well?
Page 50
The time-independent Schrödinger‟s wave equation is given by
2
2 2
20
mx E V x x
x
If E is finite, the particle cannot penetrate these infinite potential barriers, so the
probability of finding the particle in regions I and III is zero - the wave function must
be zero in both regions I and III (and also at the position 0 and a).
V x V x
Region I Region II Region III
0 a
(1)
Page 51
The time-independent Schrödinger‟s wave equation in region II, where V=0, becomes
A particular form of solution to this equation is given by
2
2 2
20
mEx x
x
1 2cos sinx A kx A kx
2
2mEk
where
(2)
(3)
(4)
2
2 2
20
mx E V x x
x
0V x
Page 52
Applying the boundary condition at x=0, we must have
At x=a, we have
nk
a
0 0x x a
ka nThis equation is valid if , where the parameter n is a positive integer (n=1, 2,
3…). The parameter n is referred to as a quantum number:
One boundary condition is that the wave function must satisfy x
(5)
(6)
(7)
V x V x
Region I Region II Region III
0 a
1 2 1 2 1cos sin cos0 sin0 0x A kx A kx A A A
1 2 2 2cos sin 0cos sin sin 0x A kx A kx ka A ka A ka
Page 53
The coefficient A2 can be found from the normalization boundary condition that was
given by
Evaluating this integral gives
* 1x x dx
*x x
If we assume that the wave function solution is a real function, then x
Substituting the wave function into equation, we have
(8)
(10) 2 2
20
sin 1a
A kxdx
2
2A
a
(11)
(9)
Page 54
Finally, the time-independent wave solution is given by
2
sinn x
xa a
The solution represents the electron in the infinite potential well.
The free electron was represented by a traveling wave, and now the bound particle is
represented by a standing wave.
(12) Where n=1, 2, 3….
20 sinx a A ka (6)
nk
a
(7)
2
2A
a
(11)
Page 55
2( ) sinx kx
a
nk
a
For the particle in an infinite potential
well, the wave function is given by
Page 56
The parameter k in the wave solution was defined by Equation (4) and (7), we obtain
(13) 2 2
2 2
2mE n
a
nk
a
(7)
2
2mEk (4)
2 2 2
22n
nE E
ma
(14)
Where n=1, 2, 3….
The total energy of the particle in infinite potential can only have discrete
values. This result means that the energy of the particle is quantized:quantum effect
Page 57
Q16: Quantum effect in Quantum dots.
Page 58
Quantum Dots (QDs)
When semiconductor particles are small enough, quantum effect comes into
play, which limit the energies at which electrons and holes can exist in particles.
https://www.sigmaaldrich.com/technical-documents/articles/materials-science/nanomaterials/quantum-dots.html
Page 59
Übung for:
Class 11: Graphene and 2D atomic-thin nanosheets
Page 60
1. How to synthesize graphene?
2. How to characterize graphene?
3. The Raman features of graphene. (D, G, and 2D bands.)
4. How to determine the layer numbers of graphene.
5. The basic properties of graphene.
6. The applications of graphene.
7. The features of 2D materials and the family of 2D materials.
8. The approaches to produce 2D materials.
9. 2D transition metal dichalogenides and their crystal structure.
10.The phase engineering of 2D TMDs.
11.The properties and applications of 2D materials.
12.Van de Waals heterostructures based on 2D materials.
Page 61
1. How to synthesize graphene?
Page 63
2. How to characterize graphene?
• Morphology
• Thickness
• Quality (defect)
• Atomic structure
Page 64
3. The Raman features of graphene. (D, G, and 2D bands.)G band (∼1580 cm−1): associated with highly ordered graphite;D peak (∼1350 cm−1): associated with edge defects;2D band (∼2700 cm−1): characteristic of few layer graphene
Page 65
4. How to determine the layer numbers of graphene.
Page 69
5. The basic properties of graphene.
• Extremely low density.
• Mechanically strong.
• Highly flexible.
• Optically transparent.
• Excellent conductor of electron and heat.
• Semi‐metal: zero‐bandgap semiconductor.
• Tunable bandgap.
Page 70
6. The applications of graphene.
Page 71
7. The features of 2D materials and the family of 2D materials.
Page 73
Xenes which are atomically thin materials of a single element, with atoms arranged ina honeycomb lattice, e.g. graphene (carbon atoms), silicene (silicon atoms),germanene (germanium atoms), phosphorene (phosphorus atoms)
TMDs transition metal dichalcogenides of the form MX2, where M stands for atransition metal (from the 4th, 5th, or 6th group of the periodic table ofelements) and X is a chalcogen, such as S, Te, or Se. The TMDs based on M = Moand W and others based on Hf, Pd, Pt and Zr are semiconductors. The moststudied TMD semiconductors are MoS2 and WS2, which were the first atomicallythin semiconductors
SMCs semimetal chalcogenides of the form M2X2, where M is a semimetal (Ga or In)and X a chalcogen (S or Se); they are semiconducting materials
MXenes which have a hexagonal lattice and are of the form MAX, where M is atransition metal, A is an element from group 13 or 14, and X carbon or nitrogen
LDHs Layered double hydroxides
MOFs Metal‐organic frameworks
COFs Covalent‐organic frameworks
Families of 2D materials
Page 74
8. The approaches to produce 2D materials.
• Top‐down
• Bottom‐up
Page 75
Top‐Down: Mechanical Cleavage
Page 76
Ion intercalation Ion exchange
Sonication‐assisted exfoliation
Electrochemical lithiation & exfoliation
Top‐Down
Page 77
Nano Lett. 2012, 12, 1538‐1544
Adv.Mater. 2012, 24, 2320–2325
ACS Nano 2013, 7, 2768‐2772
Bottom‐Up
Chemical Vapor Deposition
Chemical Synthesis
Page 78
9. 2D transition metal dichalogenides and their crystal structure.
Page 79
Crystal structure of 2D TMDs
Page 80
Crystal structure of 2D TMDs monolayer
Page 81
10. The phase engineering of 2D TMDs.
Page 82
Phase engineering of 2D TMDs monolayer
1T’Intermediate
1TOctahedral
2HTrigonal Prismatic
Page 83
Nature Chemistry 2013, 5, 263
Phase engineering of 2D TMDs monolayer
Page 85
11. The properties and applications of 2D materials.
Page 86
2D materials covering a broad spectral range
Page 88
12. Van de Waals heterostructures based on 2D materials.
Page 89
Van der Waals Heterostructures based on 2D materials Van der Waals bonding enables stacking of different materials without need to form chemical bonds
Lego on atomic scale
Page 90
Science 2016, 353, aac9439
Page 91
Adv. Mater. 2019, 1903800
Page 92
Physics Today 69, 9, 38 (2016)