Professional Documents
Culture Documents
Nanomaterials Nptel
Nanomaterials Nptel
Page 1 of 29
Table of contents
1
INTRODUCTION3
1.1 WHAT ARE LOW-DIMENSIONAL STRUCTURES?............................................................3
1.2 CLASSIFICATION OF LOW-DIMENSIONAL MATERIALS...3
1.3 WHY WE NEED QUANTUM MECHANICS?........................................................................4
ONE-DIMENSIONAL STRUCTURES:
QUANTUM WIRES AND NANOWIRES...15
ZERO-DIMENSIONAL STRUCTURES:
QUANTUM DOTS AND NANODOTS18
QUANTUM CONDUCTANCE....19
QUANTUM CAPACITNECE..23
6.1 QUANTUM CONDUCTANCE..23
6.2 EFFECT OF QUANTUM CONDUCTANCE....24
QUANTUM HALLEFFECT....24
7.1 INTEGER QUANTUM HALL EFFECT LANDAU LEVELS....25
7.2 QUANTUM HALL EFFECT...27
REFERENCES...29
Page 2 of 29
1. INTRODUCTION
1.1 What are Low-Dimensional Structures?
When one or more of the dimensions of a solid are reduced
ciently,
suf its
physicochemical characteristics notably depart from those of the bulk solid. With
reduction in size, novel electrical, mechanical, chemical, magnetic, and optical properties
can be introduced. The resulting structure is then called a low-dimensional structure (or
l
to a lo w system). The conn emen t o f p articles, u su ally electro n s o r h o es,
dimensional structure leads to a dramatic change in their behaviour and to the
manifestation of size effects that usually fall into the category of quantum-size
effects.
The low dimensional materials exhibit new physicochemical properties not shown
by the corresponding large-scale structures of the same composition. Nanostructures
constitute a bridge between molecules and bulk materials. Suitable control of the
properties and responses of nanostructures can lead to new devices and technologies.
Page 3 of 29
2me
(1)
Page 4 of 29
where is the reduced Planck constant, m is the mass of the particle, and E is its energy.
In other words, a basic characteristic of all matter at the nanoscale is the manifestation of
the waveparticle dualitya fundamental quantum-mechanical principle that states that
all matter (electrons, nuclei, photons, etc.) behaves as both waves and particles.. The
quantum effects of connement become signicant when at least one of the dimensions
of a structure is comparable in length to the deBroglie wavelength. If at least one
dimension of a solid is comparable to the de Broglie wavelength of the particle, a
quantum-mechanical treatment of particle motion becomes necessary. In the
Schrdinger description of quantum mechanics, an elementary particlee.g., an electron, a
hole and a photonor even a physical system such as an atom is described by a wave
function (r t), which depends on the variables describing the degrees of freedom of the
particle (system). Thesquare of the wave function is interpreted as the probability of
nding a particle at spatial location = ( x, y, z ) and time t.
The wave function contains all of the information that may be obtained about a
physical entity and is suf
cient to describe a particle or syste m of particles. In other
words, if the wave function of, for example, an ensemble of electrons in a device, is
known, it is possible in principlethough limited by computational abilitiesto
calculate all of the macroscopic parameters that dene the electr onic performance of that
device.
The wave function of an uncharged particle with no spin satises the Schrdinger
equation
(2)
2
where, =
spatiotemporally varying potential inuencing the particles motion. The particles mass
m in the equation has to be carefully handled. For a particle (electron or hole) in a solid,
this mass is its effective mass m, which is usually less than the mass of an isolated
electron. In the above equation the action of Hamiltonian operator
on the wave function yields the total energy of the
particle. The rst part of H (r , t ) (r , t ) is the kinetic energy, and the second part is the
potential energy. For many real systems, the potential does not depend on time, ie
V(r,t)=V(r). Then, the dependences on time and spatial coordinates of ( z ) (r t) are
separated as
(3)
Joint Initiative of IITs and IISc Funded by MHRD
Page 5 of 29
(4)
Analytical solutions of the time-harmonic Schrdinger equation can be obtained for a
variety of relatively simple conditions. These solutions provide an insight into the
nature of quantum phenomena and sometimes provide a reasonable approximation
of the behaviour of more complex systemse.g., in statistical mechanics,
molecular vibrations are often approximated as harmonic oscillators. Several of the more
common analytical solutions are for a free (isolated) particle: a particle in a box, nite
a
potential well, 1D lattice, ring, or spherically symmetric potential; the hydrogen atom or
hydrogen-like atom; the quantum harmonic oscillator; the linear rigid rotor; and the
symmetric top.
For many systems, however, there is no analytic solution to the
Schrdinger equation, and the use of approximate solutions becomes necessary.
Some commonly used numerical techniques are: perturbation theory, density functional
theory, variational methods (such as the popular HartreeFock method which is the basis
of many post-HartreeFock methods), quantum Monte Carlo methods, the Wentzel
KramersBrillouin (WKB) approximation, and the discrete delta- potential method. The
interested reader is encouraged to consult specialized books on these methods.
2
INTRODUCTION
ABOUT
QUANTUM
QUANTUM WIRES AND QUANTUM DOTS
WELLS,
Page 6 of 29
Consider the examination results of say 10th standard in the Tamil Nadu scenario
in which around 6, 00,000 number of students appear every year. In this case consider the
result of the whole state as the first case, results of a district, a school and a class room as
the second, third and fourth cases respectively. Let us draw the bar diagram similar to the
energy level diagram for number of students having scored marks in different bands like
99-100, 98-99, 97-98 and so on.
Just visualize this bar diagram for the whole state, district, school and a class,
how it will look like?
When you look at the state level mark band diagram, each band will be crowded
and placed very close to each other. Here the spatial dimension of the state is larger and
the number of students considered is more. This case is very similar to bulk materials
where electrons are free to move in all the directions and no limitations or no
confinement. In this case electronic energy level bands will be crowded as well as will be
almost continuous.
When you look at the district level mark band diagram, each band will be less
crowded and placed close to each other but not like state level. This is because of the
reduced dimension and in-turn lesser number of students. This case is very similar to
Quantum Well where electrons are free to move only in two directions and confined to
one direction. In this case electronic energy level bands will not be crowded like bulk and
with an increased gap between bands.
When you look at the school level mark band diagram, each band will be having
still smaller number of students and bands are placed wider to each other. Here, further
reduction in the dimension of the sample resulting in band widening with minimum
number of students in each band. This case is very similar to Quantum Wire where
electrons are free to move in only one direction and confined to two directions. In this
case electronic energy level bands will be still widened and with much increased gap
between bands.
Finally, when you look at the Class level mark band diagram, each band will be
having very few numbers of students and bands are placed much wider to each other.
Here a class representing the smallest dimension in terms of sample considered. This
case is an analogy for the Quantum Dot. Since Quantum Dot is a nano-sized particle
where electrons are totally confined and cannot move anywhere. In this case electronic
energy level bands are widened to the maximum.
Joint Initiative of IITs and IISc Funded by MHRD
Page 7 of 29
The number students in a band and number electrons in a band are the analogy of
this example. As we reduce the size of the materials more and more we can confine
electrons more and more and so controlling, activating can be done at very low voltage
and current lelvels.
We can make use of these dots, wires and wells to fabricate a device say a
transistor or a gate or a memory device and they can work with voltage levels less than
0.2 V and current in the nano to pico Amps.
Most of the nanoelectronic devices are based on the semiconductor nanostructures
fabricated by tailoring the band gaps of desired level. The major focus of the band gap
engineering is to design non- traditional devices with unusual electron transport and
optical effects.
When we think about how to engineer the band gap?, Quantum well is the first answer.
Quantum Well?
The term well refers to a semiconductor region that is grown to possess a lower
energy, so that it acts as a trap for electrons and holes (electrons and holes gravitate
towards their lowest possible energy positions). They are referred to as quantum wells
because these semiconductor regions are only a few atomic layers thick; in turn, this
means that their properties are governed by quantum mechanics, allowing only specific
energies and band gaps. Because QW structures are very thin, they can be modified very
easily.
In other words
Quantum wells are real-world implementation of the particle in the box problem; they
act as potential wells for charge carriers and are typically experimentally realized by
epitaxial growth of a sequence of ultrathin layers consisting of semiconducting materials
of varying composition.
Page 8 of 29
Two dissimilar semiconductors with different band gaps can be joined to form a
heterojunction. The discontinuity in either the conduction or the valence band can be used
to form a potential well. If a thin layer of a narrower-band gap material 'A' say, is
sandwiched between two layers of a wider-band gap material 'B', then they form a double
heterojunction. If layer 'A' is sufficiently thin for quantum properties to be exhibited, then
such a band alignment is called a single quantum well.
Additional semiconductor layers can be included in the heterostructure, for
example a stepped or asymmetric quantum well can be formed by the inclusion of an
alloy between materials A and B.
Still more complex structures can be formed, such as symmetric or asymmetric
double quantum well and multiple quantum wells or superlattices. The difference
between the latter is the extent of the interaction between the quantum wells; in
particular, a multiple quantum well exhibits the properties of a collection of isolated
single quantum wells, whereas in a superlattice the quantum wells do interact. The
motivation behind introducing increasingly complicated structures is an attempt to tailor
the electronic and optical properties of these materials for exploitation in devices.
All of the structures illustrated so far have been examples of Type-I systems. In
this type, the band gap of one material is nestled entirely within that of the wider-band
gap material. The consequence of this is that any electrons or holes fall into quantum
wells which are within the same layer of material. Thus both types of charge carrier are
localised in the same region of space, which makes for efficient (fast) recombination.
In Type-II systems the band gaps of the materials, say 'A' and 'C', are aligned such
that the quantum wells formed in the conduction and valence bands are in different
materials. This leads to the electrons and holes being confined in different layers of the
semiconductor. The consequence of this is that the recombination times of electrons and
holes are long.
Joint Initiative of IITs and IISc Funded by MHRD
Page 9 of 29
Sl.
No.
1
2
3
4
System
Df
Dc
Bulk 0 3
Quantum well 1 2
Quantum wire 2 1
Quantum dot 3
0
1
2
0
3
2
1
3
Page 10 of 29
The following Fig. shows an expanded view of a single quantum wire, where clearly the
electron (or hole) is free to move in only one direction, in this case along the y-axis.
Page 11 of 29
A particle cannot escape from the quantum well 0 z L z and loses no energy
on colliding with its walls z=0 and z=L z . In real systems, this confinement is due to
electrostatic potentials (generated by external electrodes, doping, strain, impurities,
Joint Initiative of IITs and IISc Funded by MHRD
Page 12 of 29
A GaAs Quantum well inserted between two Al u Ga 1-u As as barrier layers. The
layer of GaAs is a quantum well because the barrier layers are made of a material with a
larger bandgap than GaAs; the energy difference between the valence band and
conduction band in a semiconductor is called the bandgap. By adjusting the aluminum
content of the barrier layers and the thickness of the GaAs layer at the time of growth,
quantum wells with electronic properties tailored to the users cations
speci
can be
created. This practice is referred to as quantum engineering.
The innitely deep 1D potential well is the simplest connement potential to treat in
quantum mechanics. In classical mechanics, the solution to the problem is trivial, since
the particle will move in a straight line and always at the same speed until it reects
from a wall at an equal but opposite angle. However, in order
ndtothe quantum
mechanical solution, many fundamental concepts need to be introduced.
After restricting analysis to an innitely deep 1D potential well aligned alon g the z axis
will be of the form
(5)
Page 13 of 29
(6)
The time harmonic Schrodinger wave equation can be written as
Outside the chosen potential well, the potential nite;
is in hence, the only possible
solution is ( z ) =0, z 0 or z Lz , which in turn implies that all values of the energy
E are allowed. Within thenitely
in
deep potential well, the Schrdinger equation
simplies to
(7)
Note that ( z ) must be continuous inside the well and must be zero on both walls.
Furthermore, since the particle must exist somewhere on the z axis, and because
(mod ( ( z ))) 2 is the probability of nding the particle at a particular value of z, it follows
+
that
(mod( ( z )))
Schrodinger equations are many and these solutions are called Eigen functions and
maybe written as
n z
1, 2,3......
nz = 2 / Lz sin( z ) , 0 < z < Lz , nz =
(8)
Lz
The index n z =0 is ruled out since ( z ) = 0 then for all z (, ) , corresponding to the
case where there is no particle in the innitely deep potential well. Negative values of n z
are also neglected, since they merely change the sign of the sine function. The
complete solution is the superposition of all the Eigen functions and is given as
(9)
Where, A n are the coefcients of expansion i ndicating the relative importance of the
eigen functions in the solution. Each eigen function describes a state of electron
connement. The Eigen energy associated with n z th Eigen function is given by
(10)
Where, n z is called principle quantum number.
Page 14 of 29
Thus, the potential V(r) is written as the sum of a 2D connement potential (yz plane)
plus a potential along the wire (x axis) as
(11)
Accordingly, the wave function is written as the following product of two components:
(12)
Substituting the above two equations in time harmonic Schrodinger equation, we get
Joint Initiative of IITs and IISc Funded by MHRD
Page 15 of 29
(13)
From this equation it is possible to obtain the following two autonomous equations of
motion:
The
above
equation
is
satisfied
by
plane
wave
of
(14)
the form
(15)
This equation gives the energy level along the x axis, in which direction the particle is
free to move, and resembles that of a 3D structure (wherein connement is not possible).
The potential V(2,3)(y,z) is given by
(16)
Outside the rectangular region, the wave function
( y, z ) is identically zero.
Therefore the second equation of motion needs to solved in the rectangular region and
can be written as
(2,3)
(17)
The form of the potential in this equation allows the wave function dependencies on y
and z to be decoupled, ie.,
. The method of separation of
variables can be used which allows the energy superposition E(2, 3)=E2 + E3 and leads to
the following decoupled equations.
Page 16 of 29
(18)
These equations are identical to the Schrodinger equation in the deep potential well and
are subject to similar boundary conditions. Basically, since the potential energy outside
the wire is innite, the standard boundary condition of continuity of the wave function at
the walls implies that the product of 2 ( y ) and 3 ( z ) must be zero on the walls. Hence,
the Eigen solutions are
Thus,
(19)
The quantum states in a quantum wire are described by two principal quantum numbers
(n y and n z ), while only one principal quantum number is needed for a quantum well.
Similarly to that for a quantum well, the Eigen energy in a quantum wire increases for
decreasing size. Also, a lower effective mass results in a larger Eigen energy for a given
size.
The corresponding Energy levels are given by
(20)
Where, n y and n z are principle quantum numbers.
Page 17 of 29
For simplicity, let the potential be zero inside the quantum box but innite
everywhere else; i.e.,
(21)
The 3D time-harmonic Schrdinger equation within the quantum box becomes
(22)
Joint Initiative of IITs and IISc Funded by MHRD
Page 18 of 29
(23)
The Eigen energy for a specific Eigen function is given by
(24)
Of fundamental importance is the fact that E nxnynz is the total particle energy because of
3D connement, in contrast with the previous two cases in which the solutions for
the conned states in a quantum well and a quantum wire gave us only the Eigen
energies associated with transverse connement. The discrete energy spectrum in
a quantum box and the lack of free propagation are the main features
distinguishing quantum boxes from quantum wells and quantum wires. As these
features are typical for atoms, quantum dots and quantum boxes are often called
articial atoms.
A remarkable feature of a quantum box is that when two or more of the
dimensions are the same (e.g., L x = L y ), more than one wave function
corresponds to the same total energy. When exactly two wave functions have
the same energy, that energy level is said to be doubly degenerate. Degeneracy
results from the symmetry of the structure.
5 Quantum conductance
Conductance is the measure of transport of electrons in the medium. Then, what is
mean by quantum conductance? It is the limit of the material in low dimension.
Before discuss the quantum conductance, we know the transport properties in the
classical and quantum level.
In classical (i.e., size not in the range of nanometers) obeys the scattering
transport mechanism. Moreover, scattering transport failed in quantum level called as
ballistic transport. Table shows the difference in both transports as follows
Page 19 of 29
Ballistic Transport
Scattering transport
Consider the quantum wire a two dimensional material, L is the length of the
wire, a potential flow from one end to other; it is shown in the Figure.
To flow a charge then should be difference in Fermi level (Chemical Potential) at the two
end of wire.
Page 20 of 29
Charge will flow from the contact to quantum wire, depends upon the Fermi level
difference and it leads to the accumulation and depletion of electrons from the end of the
Page 21 of 29
(29)
Hence, velocity of the electrons in the quantum wire can be calculated from the equation,
also we know that by classically distance travelled by unit time.
Therefore,
(30)
(31)
Now, number of electrons present in the quantum wire is the number of states between
the two levels and is represented as
(32)
(33)
(34)
(35)
(36)
Quantum wire of conductance has some constant with applied voltage, it is compared
classical mechanics, then it follows the ohms law, resistance will be
(37)
Page 22 of 29
(39)
If the quantum wire has multiple anode, then the total conductance
(40)
6 QUANTUM CAPACITNECE
Quantum capacitance (density) is a physical value first introduced by Serge Luryi
(1988) to describe the 2D-electronic systems in silicon surfaces and GaAs junctions.
This capacitance was defined through standard density of states in the solids. Quantum
capacitance could be used in the quantum Hall Effect (integer and fractional)
investigations as a new approach which uses quantum LC circuit.
The quantum capacitance in grapheneis given by
[1]
C QL = C QO ~ 2,187.10^-3 F/m^2
(41)
(42)
(43)
Where
nis the number of electrons and
q is the charge of an electron
Potential difference is defined as: V =U/q
Wherenis the number of electrons and
U is the electrostatic charge
Joint Initiative of IITs and IISc Funded by MHRD
Page 23 of 29
Page 24 of 29
(45)
Where c = eB/m is the cyclotron frequency.
These orbitals are known as Landau levels, and at weak magnetic fields, their
existence gives rise to many interesting "quantum oscillations" such as the Shubnikov
de Haas oscillations and the de Haasvan Alphen effect (which is often used to map the
Fermi surface of metals). For strong magnetic fields, each Landau level is highly
degenerate (i.e. there are many single particle states which have the same energy E n ).
Specifically, for a sample of area A, in magnetic field B, the degeneracy of each
Landau level is
(46)
Whereg s represent a factor of 2 for spin degeneracy, and 0 is the magnetic flux
quantum.
For sufficiently strong B-fields, each Landau level may have so many states that
all of the free electrons in the system sit in only a few Landau levels; it is in this regime
where one observes the quantum Hall Effect.
Page 25 of 29
whereh=Plancks constant
p=momentum
E=energy
=de Broglie wavelength of a free electron
= electron effective mass in semiconductor
The room temperature De-Broglie wavelength of a free electron is ~76, and that
of electron in GaAs is ~295.For several semiconducting materials, the D-B wavelength
is comparably with the size of semiconductor structures in the nanostructure limit, hence
a Quantum mechanical treatment of the transport properties in nanostructures must be
considered.Quantum Transport in low dimensional is very interesting and offers the
Joint Initiative of IITs and IISc Funded by MHRD
Page 26 of 29
investigation remarkable properties such as the Quantum Hall effect, shubnikov-de Haus
effect, ballistic transport and the fractional quantum hall effect. As we know, the
shubnikov-de Hauseffectwill help us to precisely measurer the carrier concentration
formed at the hetrojunctions interfaces.
The investigation of two dimensional system in a perpendicular magnetic field
provides quantisation hall resistance, which results from the quantisation of energy in
series of landau levels. Hence understanding these effects will give a clear picture of
transport properties especially conductance of low dimensional conducting
semiconductor materials, which are the building blocks of nanoelectronic devises.
where is the drift velocity and is the scattering time. The magnetic field is applied
along the z axis, and and are assumed to vary with time as
. This equation
can be expressed in its three components as
(49)
where is the conductivity tensor, one can obtain the components of the conductivity
tensor as
(51)
where
is the conductivity in the absence of the magnetic field. For the
steady-state case where
, the conductivity tensor can be written as
Joint Initiative of IITs and IISc Funded by MHRD
Page 27 of 29
(52)
Thus, the conductivity in a two dimensional system in the presence of a magnetic field
applied along the z direction can be expressed as
(53)
The condition
implies that the carriers are collision less. By applying
this condition to Eq. 5, one can obtain
and
. In the presence of
collisions, where
, we have
(56)
where these conductivity components are simply the sum of the collision and
collisionless parts. When the Fermi energy level is between Landau levels labelled n and
n +1,no elastic scattering can occur at low temperatures(T4.2K), and the energy
separation between consecutive Landau levels is
. This case is thus equivalent to the
condition
, which gives
, and
is given by its classical collisionless
value. From the density of states per Landau level,
, one can write the carrier
density n s as
, where n is the nth Landau level. The Hall conductivity
can
be expressed as
(57)
This equation shows that the Hall resistivity takes quantized values of 25812.87/n
whenever the Fermi energy level lies between filled-broadened Landau levels. This is
called the quantum Hall effect.
The quantum Hall effect is observed for integer filling factors as
.
However, at low temperature (T< 5.2 K), a fractional value of the filling factor v has been
observed for the lowest Landau level in many hetrojunction systems with high mobility.
In this case, v can take on values of p/q. where p and q are integers. This is called the
fractional quantum Hall effect. Laughlin (1983) provided an explanation of the fractional
quantum Hall effect based on the condensation of electrons or holes into a collective
Joint Initiative of IITs and IISc Funded by MHRD
Page 28 of 29
8 REFERENCES
1. Tsui, D. C., H. L. Stormer, J. C. M. Huang, J. S. Brooks, and M. J.
Naughton.Observation of a Fractional Quantum Number.Phys. Rev. B28 (1983):
2274.
2. Laughlin, R. B..Anomalous Quantum Hall Effect: An Incompressible Quantum
Fluidwith Fractionally Charged Excitations. Phys. Rev. Lett. 50 (1983): 1395.
Page 29 of 29