Physics of Nanoscale Devices

Prof. Vishvendra Singh Poonia

Department of Electronics and Communication Engineering
Indian Institute of Technology, Roorkee

Lecture - 05
Electrons in Solids

Hello, everyone. Today, we will see how electrons behave in actual solids. Just to review
what we have discussed so far.

(Refer Slide Time: 00:41)

So, in the beginning I told you that the most important part of a device is of a field effect
transistor is its channel. And the channel can be sort of understood as a two terminal device
where we have a channel there is a source and there is a drain. And on application of a
positive voltage on drain terminal electrons flow from source to drain. Now, as we know
that in modern devices this channel region is getting smaller and smaller.

And now this channel region is nanometer in length and that is basically causing as we
know and this we have already discussed. This is causing a fundamental change in the way
electrons behave in the devices and that is what we are trying to understand in this course
that is what we will be trying to understand in this course and that is what we have already
that discussion we have already started.
So, ultimately in devices everything is basically the game of electrons everything is
basically the dynamics of electrons how electrons behave in devices that is what we
essentially need to understand in order to understand the physics of the device. And, in
nanoscale nanoscopic devices when the channel region is few nanometers in length.

Electron’s nature is no longer of a classical particle electron behave as a quantum particle

and that is why we started our discussion with the basics of quantum mechanics. We
discussed the basic postulates of the quantum mechanics and as you might recall some of
the postulates of quantum mechanics are fundamentally different from the classical
mechanics.

So, for example, in quantum mechanics we have a wave function to describe everything
about a particle or a system. And we on doing measurement on a quantum system there is
no deterministic result we get one of many possibilities as the outcome of the
measurement.

So, quantum mechanics is fundamentally probabilistic whereas, the classical mechanics is

a deterministic signs. We have also seen other postulates, how we define operators which
correspond to physical observables in the system and after going through the basic
postulates of quantum mechanics.

Now, after going through the basic postulates of quantum mechanics; we went on to
understand the free electron how a free electron behaves. So, this is the first type in order
to understand how the electron behaves in a solid. So, we started with how an electron
behaves when it is entirely free, it is free from all the interactions all other kind of all other
particles as if it is alone in the universe.

In case of free electron, we saw that the Schrodinger equation of the electron looks like a
simple second order differential equation, where we have a parameter called k, which is
also the known as the wave number just to sort of remind you a wave number can be
understood as frequency in spatial dimension.

So, it basically tells how a wave or how a wave function is distributed in the space how it
is oscillating how it is essentially repeating itself in the space. So, it is also known as the
frequency in spatial dimension. And we saw that for a free particle case for a free electron
when the electron is free from all the interactions, the electron wave function looks like a
sinusoidal just a plane wave where the wave function is a superposition of sin and cosine.

(Refer Slide Time: 05:10)

And, in this case the relationship between the energy of the electron and the wave number
of the electron is a parabolic relationship. So, for a free particle if we plot E k relationship,
it is a parabola around E axis basically.

So, that is what we saw this is a simple solution a simple case of quantum mechanics which
we can handle analytically. Generally, it happens that in quantum mechanics we cannot
solve Schrodinger equation analytically precisely solve. So, we need to make many
approximations.

But for free electrons, we can solve the Schrodinger equation analytically and this is how
the solution looks like and this is the E k relationship for free electron ok. After free
electron case, we try to understand how the electron would behave when the electron is
confined in a potential well, what do we mean by a potential well?

Potential well has potential for has sort of potential boundaries between which between
those boundaries the potential is 0 and in those boundaries beyond those boundaries the
potential is infinite. So, what it means is that the electron is now confined between two
points or two boundaries by a potential.
And in this case, we saw that, now the electronic wave function is still a sinusoidal wave
function sinusoidal kind of wave function, but the energy values are no longer a continuous
𝑛2 𝜋 2 ℏ2
set of values. Now, the energy values are discrete values which are given as 𝐸 = ,
2𝑚𝑎2

which means that in a potential well, electrons can take only a certain set of energy values
it cannot have any arbitrary energy and exist in the potential well.

It can only take certain set of energy values and corresponding to those energy values the
electronic wave function will be defined by this equation and these are some of the simple
wave functions corresponding to various energy values. And in this case, we saw that now
if we plot the E k relationship for a particle in a box it will not be a continuous plot because
the energy values do not exist for all k values the k can only take the wave number can
𝑛𝜋
only take these values, where n is an integer.
𝑎

So, the E k plot will be a discrete plot where the E values will still be lying on the parabola,
but it will not be a continuous plot it will just be the points on this parabola like this. So,
only these points will constitute the E k plot for a particle in a box. So, we consider two
case one is the electron when the electron is entirely free and second case when the electron
is entirely confined in a potential well.

And there are a range of intermediate cases there are lot of cases in between. For example,
we can have a finite potential well, where this potential V is not infinite inside on the
boundaries it is a finite value. So, V is no longer infinite. And in those cases, also, we can
solve the Schrodinger wave equation and we can find out the electronic wave function,
which will basically be like a hybrid of free electron and the electron in an infinite potential
well.

Now, that key take away from this understanding was that when the electron is confined
it leads to discretization and this was one of the earliest feature of quantum mechanics
which was discovered and it was a paradigm shift in understanding of particles and their
natures ok.

So, with this understanding, now we will see how electrons behave in solids basically. So,
as you know as all of us know actually that solids can be quite complicated, they are not
like free particle case or not like not even like particle in a box case they can be quite
complicated.
Generally, the solids in devices that the solid that we use in devices are crystalline solids
they are they have a regular defined lattice structure and, but still at finite temperatures
those lattice points the solids and the lattice points might be vibrating and the solids might
have many sort of non-idealities.

For example, there might be a lattice vacancy then the latest points are all vibrating. So,
these kind of complications might be there in solids. So, we will not directly go into an
actual solid actually because it is not possible to solve Schrodinger equation analytically
for a for an actual solid for an actual lattice.

(Refer Slide Time: 10:57)

So, what we do is we take the case of 1-D solids first 1-D solids and this case can easily
be generalized to our 3-D solids and moreover in 1-D solids we do not consider lattice
vacancies and lattice vibrations. So, we do not consider these two known idealities and we
consider we first consider an ideal 1-D solid.

So, an ideal 1-D solid will look something like this. So, in an 1-D; in a 1-D solid the atoms
or to be more precised the atomic cores will be located at a regular interval from each
other. So, let us consider the case of an infinite 1-D solid in which these atomic cores,
basically atomic cores are atomic nucleus plus tightly bound electrons. So, atomic cores
are atomic nucleus plus tightly bound electrons.
So, the atomic cores and generally they have a +Ze charge. So, what it means is that in an
atomic core a nucleus is there and some electrons are so tightly bound that we consider
this entire system this atoms plus tightly bound electrons as one system, but Z number of
electrons are Z number of electrons are free; which means that from each atom Z number
of electrons are free to move in the entire solid.

So, that is why the atomic cores have a positive Z times e charge where e is the charge of
a single electron. So, these atomic cores are positively charged stable atomic or stable
heavy atomic cores basically. So, these are fixed at a regular interval the period of this
lattice is let us say is a. Now, if an electron exist in this system, where there are there is a
chain of atomic cores and we bring sort of one electron here.

So, we now we will try to see how an electron will behave in this particular system. And
as we can see that in this system also like particle in a box system the potential is no longer
zero; there will be some potential that the electron will feel because of the atomic cores,
but just take a moment and think what will be the potential energy of the electron in this
particular environment.

So, in this environment as you might recall the potential due to each atomic core will be a
constant times the charge of the atomic core k times Q, Q is the charge of the atomic core
which is basically Z times e in this case divided by r. And the potential energy of the
electron would be the charge of the electron which is minus e times e into k Q by r.

So, the potential energy of the electron in presence of a single atomic core will be basically
𝑍𝑒 2
something like k times if we put the value of Q to be . So, it is inversely proportional
𝑟

to the distance between the electron and the atomic core. And, if we plot this on
corresponding to each atomic core, we will see how the potential profile looks like. So,
corresponding to each atomic core the potential would be this basically inversely
proportional to the distance between the electron and the atomic core.
(Refer Slide Time: 15:57)

So, now let us see how it actually looks like potential due to atomic core due to let us say
this atomic core is this as we can see this is basically the potential energy of the electron
−1
is inversely proportional to . So, the potential energy of the electron will be this, this is
𝑟

a graphical representation of the potential energy this is we are not.

In order to sort of have a good understanding of the nature of electrons we will sometimes
use graphical representation of the system and their various parameters. So, the potential
energy of an electron when it comes close to this atomic core will be this. And similarly,
this will be the potential energy of the electron whenever it comes close to any of these
basically any of these atomic cores.

So, we can individually say that corresponding to each atomic core in the lattice the
potential energy of the electron will look like this. So, the resultant potential energy of the
system would be basically a sum total of all these potential energies. So, that will be the
final potential that the electron will see or electron will feel in this particular lattice. Let us
see just for a for an exercise let us see how this potential energy looks like.
(Refer Slide Time: 17:33)

So, let us say if the potential energy due to this atomic core is this and potential energy
due to this atomic core is similarly can be plotted to be this. So, the resultant potential
energy of these two from these two atomic cores will be something like this. So, this is the
resultant potential energy of the electron in presence of two cores, two atomic cores ok.
And, similarly for a chain of atomic cores the resultant potential energy of the system
would be like this, but extended to all the atomic cores ok.

(Refer Slide Time: 18:30)

So, if we generalize basically this understanding this is how the potential profile or the to
be more precise the potential energy profile of the electrons would be in a 1-D solid. So,
in a 1-D solid if we precisely plot the lattice here the potential energy of the electron in
this system would look something like this.

So, this is how the potential energy would look like. So, this is the potential energy of the
electron in a 1-D solid and as you might recall the. So, ultimately, we need to we need to
solve the Schrodinger equation for electron in any system in order to understand the nature
of electrons or the behavior of electrons in that system.

−ℏ2 𝜕 2
And the Schrodinger equation looks like this in 1-D it would be + 𝑈(𝑥), where
2𝑚 𝜕𝑥 2

U(x) is the potential energy times the wave function equals energy of the electron times
the wave function, ok. So, as you can see this parameter U(x) is quite important in solving
the Schrodinger equation. So, if we need to understand the behavior of electrons in 1-D
solid we need to put instead of in place of this U(x) we need to put this potential profile in
the Schrodinger equation and we need to solve this Schrodinger equation.

And finally, the wave function that we will obtain will be the wave function of the electrons
in this 1-D solid. So, that will basically capture all the information about the electrons in
this solid. So, that is what we will try to do, but there is a cache here Schrodinger equation
is not easy to solve always Schrodinger equation generally is difficult in most simple cases
it can be solved.

But as soon as there are multiple atoms there is a complicated interaction between the
atoms this it becomes difficult to solve the Schrodinger equation and that is also the case
here with this potential profile if we take precisely this potential profile for 1-D solids we
cannot solve the Schrodinger equation precisely.

But there is a way out here and this was given by Kronig and Penney and that is why it is
known as the Kronig-Penney model. So, the technique that they use is that instead of
solving the Schrodinger equation for this potential profile they sort of approximate or they
solve the Schrodinger equation for a potential profile which is not exactly like which is
not exactly the same as the potential profile of 1-D solids, but it resembles quite well with
the potential profile of 1-D solids and this is the profile that the Kronig-Penney model
takes.
And instead of having negative infinite potential energies at certain points which is the
case at these points the Kronig-Penney model takes a finite value of potential energy at
these points. So, in this particular figure it is taken to be as the reference point and the
potential energy is considered to be zero at these points and the upper value of the potential
energy is taken to be u naught.

So, this is not exactly the same profile as is there in 1-D solids, but this resembles quite
well with the profile that is there in the 1-D solids and it turns out that this profile captures
the most essential behavioral most essential characteristics of electrons in solids. So, if we
solve Schrodinger equation for this profile in solids it will basically capture the all the
essential components all the essential characteristics of the electrons.

So, that is why we solve the Schrodinger equation for the potential profile taken in the
Kronig-Penney model and it turns out it also turns out that the Schrodinger equation can
be precisely solved if we take U(x) to be this profile with some mathematical techniques.
So, this is what we will do. In order to understand the nature of electrons the behaviour of
electrons in solids we will solve Schrodinger equation for this potential profile the
potential profile given in the Kronig-Penney model ok.

(Refer Slide Time: 23:48)

So, that is going to be our sort of next task again as you might have realized this is an
infinite sequence of atoms in a 1-D the solid atoms can in principle be from minus infinity
to plus infinity, but generally solids are finite in length, but the length can be extremely
large on atomic scales.

So, for all practical purposes this can be taken to be quasi-infinite in length which means
a huge number of atoms are there in the solids which means there are huge number of such
patterns in the potential profile as you can see here. If you closely observe in this potential
profile this particular pattern this pattern starting from here to here this is repeating itself
for a large number of times for the entire length of the solid.

So, if we need to solve the Schrodinger equation for this entire solid essentially, we would
need to solve the Schrodinger equation for all the for the entire length because the potential
is changing it is as if there are there is a sequence of potential wells and or potential
barriers in the solids.

And that is that in itself is also an extremely difficult task, but there is a rescue here I would
say and the rescue is given by the so called Bloch’s theorem. So, what Bloch’s theorem
says is that if a potential is repeating itself which means if there is a periodic potential then
the wave function follows a certain pattern.

So, what Bloch’s theorem says is that if a quantum system is in a periodic potential which
means let us say let us take the period of the potential profile to be capital A because we
are taking small a here. So, even in the statement of the Bloch’s theorem let us take it to
be capital A ok.

So, if the potential is periodic which means that after a period of capital A length the
potential is again the same. Then the wave function will also be of this kind
Ψ(𝑥 + 𝐴), would be Ψ(𝑥). 𝑒 𝑖𝑘𝐴 , the period where A is the period of the crystal.

So, in simple words or simply it can be understood that if the potential is periodic the wave
function of the system will also be periodic, but modulated by an exponential ok or the
restatement of the Bloch’s theorem is that in a periodic potential which means if the
potential profile is like this then the wave function of this system is 𝑒 𝑖𝑘𝑥 u(x). Ψ(𝑥) is e is
𝑒 𝑖𝑘𝑥 u(x), where u(x) is a periodic function ok.

So, these are these two statements of the Bloch’s theorem are equivalent and we will see
here. So, in this expression if we put Ψ instead of x if we take Ψ(𝑥 + 𝐴) it will basically
be 𝑒 𝑖𝑘(𝑥+𝐴) u(x+A) and as we know u(x+A) is essentially u(x) because u(x) by definition
is a periodic function.

So, this Ψ(𝑥 + 𝐴) would basically be Ψ(𝑥 + 𝐴) would be 𝑒 𝑖𝑘𝑥 let us also decompose the
exponential u(x). So, in place of u(x+A) we can put u(x) in this expression and 𝑒 𝑖𝑘𝑥 u(x) is
basically Ψ(𝑥) as is clear from this equation. So, Ψ(𝑥 + 𝐴) would be 𝑒 𝑖𝑘𝐴 Ψ(𝑥) which is
essentially the earlier statement of the Bloch’s theorem this statement of the Bloch’s
theorem.

So, the Bloch’s theorem can equivalently be put in two statements in a periodic potential
profile the wave function of the system would be Ψ(𝑥 + 𝐴) equals 𝑒 𝑖𝑘𝐴 Ψ(𝑥) or Ψ(𝑥) can
be written as Ψ(𝑥) equals 𝑒 𝑖𝑘𝑥 u(x) where u(x) is a periodic potential which means u(x+A)
is the is same as u(x) ok.

So, these are two equivalent statements of Bloch’s theorem we will not be going into the
derivation of the Bloch’s theorem in this class, but I would highly recommend you to go
through the derivation of the Bloch’s theorem which is available in many standard texts
on solid state physics and condensed matter physics. This is an this will be an interesting
exercise this will clear many quantum mechanical concepts as well building on Bloch’s
theorem.

So, I am taking a detour in order to go into the details of Bloch’s theorem here this also
means this statement of Bloch’s theorem means that this statement Ψ(𝑥 + 𝐴) equals
𝑒 𝑖𝑘𝐴 Ψ(𝑥) this means; if we take the first derivative of Bloch’s theorem it would basically
𝜕Ψ(𝑥+𝐴) 𝜕Ψ(𝑥)
be = 𝑒 𝑖𝑘𝐴 .
𝜕𝑥 𝜕𝑥

So, these two statements of Bloch’s theorem are equivalent to each other. So, in other
words the Bloch’s theorem can be stated in terms of psi x plus A which naturally implies
that the same expression holds true for the derivative of the wave function as well ok. So,
there are two statements of Bloch’s theorem this one and this one and as we have seen
these two are equivalent statements and the implication of this statement is that the
derivative of the wave function can also be represented in the same form.

So, today what we have seen is that the interior of solids or the potential profile in solids
is slightly complicated. And we need to make some approximation in order to sort of solve
the Schrodinger equation inside the solids and that approximation was done in Kronig-
Penney model of electrons in solids.

And there also we cannot just take the potential profile and solve the Schrodinger equation
there also we need to invoke Bloch’s theorem and in next class ,in next lecture we will see
how by using Bloch’s theorem we can solve we can analytically solve Schrodinger
equation in 1-D solids with Kronig- Penney approximation.

Thank you and see you in the next class.