A Microscopic Model of Resonant Double-Barrier Tunneling in A Quantum System
A Microscopic Model of Resonant Double-Barrier Tunneling in A Quantum System
A Microscopic Model of Resonant Double-Barrier Tunneling in A Quantum System
Shanna Crankshaw
Department of Physics, University of Florida
Gainesville, Florida 32611
A familiar fact in the realm of physics is that on very small size scales, some of the
tidiness of the classical, macroscopic world collapses into that of quantum mechanics.
This certainly holds true for sizes on the order of magnitude of fractions of nanometers
the size of a Bohr radius. In this quantum domain, we consider the wave nature of the
electron to describe its interaction with a series of potential barriers. The model
two square barriers. Nonetheless, this model does demonstrate a number of interesting
tunneling through a double-barrier structure. Two features form the basis of the
behavior of the model: transmission probability and well density. From a consideration
1
of the transmission probabilities for a number of different electron energies, we calculate
the current through the two barriers. From a comparable consideration of density as a
function of incident energy, we calculate the total density of electrons inside the quantum
well.
To introduce the situation, first consider the typical problem of a particle in a one-
dimensional box. The behavior of the particlesay, an electronin this situation follows
from the solution of Schrdingers equation in one dimension, which gives rise to n
discrete energy levels with n2 spacing. As long as this idealistic box has infinite walls, the
electrons wavefunction will be zero outside the box and purely sinusoidal inside. If,
though, this box is modified so as to have walls of finite height, the particle has a chance
to escape from, or tunnel out of, the confining potentials. High potentials relative to the
energy of the particle, and, likewise, wide walls compared to the width of the well,
correspond to less chance of escape, and hence a longer lifetime of the boxs bound
eigenstate.
Now, instead of picturing a particle sitting inside such a potential well, consider a
2
incident flux encounters a potential barrier, it has only two options: reflection or
sharply at particular incident energies. The exact energy of these resonant modes
depends on the height and width parameters1,2 describing the barriers and on the length
D2 d 2
2m dx 2 + V ( x ) ( x ) = E ( x ) (1)
a piecewise constant potential in this model. In those regions where V(x)=0, the equation
simplifies to
D 2 d 2
= E
2m dx 2 (2)
d 2 2mE
2 = = k 2
dx D2
2mE
where k = . We thus have a second-order differential equation to which the two
D2
linearly independent solutions are purely oscillatory, and hence the general solution may
3
D 2 d 2
= ( E V0 )
2m dx 2 (3)
d 2 2m( E V0 )
2 = = q 2
dx D2
2m(V0 E )
with q = , assuming E < V0 as is the case for the barriers here [1]. For this
D2
case, the two linearly independent solutions are rising and falling exponentials and the
2m(V1 E ) 2m(V2 E )
here defining q = and p = so as to explicitly allow the left
D2 D2
The last idea that we need to develop in order to calculate the transmission
coefficients through our series of barriers is that of probability current. Briefly stated, we
can think of the probability of finding an electron in a particular spatial region changing
due to a probability flow, or current, entering or leaving that region. This current we
define as 3
D *
jx = * (5)
2mi x x
4
jtrans , x > d
Finally, we define the transmission coefficient as T = [1]. Since in our
j inc , x< a
model the potential before and after the series of barriers is the same--namely, V=0 for
both x < a and x > d --T simplifies to a ratio of the squared moduli of the corresponding
2
H
T= 2
for electrons incident from the left (+k states), and (6)
A
2
B (7)
T= 2
for electrons incident from the right (-k states).
K
continuous across each interface. These conditions generate two equations per boundary,
or four per barrier. Thus, for our system of two barriers, we must thus satisfy eight
algebraically daunting undertaking, even for a single barrier. This, then, is where Matlab
resonant energy levels, we plot these transmission coefficients for many different
energies and note the location of the peaks. Generally speaking, if the two barriers are
through both barriers at resonance approaches 100%. The higher the barriers are, the
more like delta functions the transmission peaks become. Another way to think of this
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feature is in terms of filters: tall barriers are more selective of the energy of electrons that
they will let through than lower barriers. Another general characteristic is that the first
resonant peak occurs at a lower energy for wider wells than for narrow ones (see Fig. 2).
very narrow well is less than the uncertainty for one in a wide well. To compensate for
constraints of
Heisenbergs notorious
uncertainty principle,
the allowed
momentaand hence
corresponding
FIGURE 2. a) Transmission probability vs. incident energy for
momenta and energies asymmetric barriers; b) for symmetric barriers; c) for tall barriers d) for a
narrow well.
of a particle in a wider
well. As one physics professor once described, A particle does not like to live in a
through the barriers achieves a relative maximum. We define the minimum incident
energy as min and the maximum incident energies (one for the +k and one for the -k
4 See Appendix B
6
By integrating all the probabilities of transmission over this energy range of interest
L ,R
J l ,r = min
T ( E )dE (8)
If the transmission peaks were true delta functions, the current would be a step function,
with one step at every resonance. Electrons that penetrate the potential barriers at these
resonant energies populate the space inside the well; therefore, a maximum in the density
of electrons in the well occurs for every maximum probability in transmission. We may
2
in fact call this density the probability density, and define the quantity dx ( x ) as the
electrons wavefunction inside the well. For a single energy, then, we obtain the well
c 2
n( E ) = b
dx ( x ) (9)
Repeating this procedure for a number of k values reveals peaks in the same locations as
The shape of the transmission and density peaks themselves fit Lorentzian
2
L( E ) = (10)
( )
2
( E Eres ) + 2
2
where , describing the half-width of the peak, is a parameter related to the "escape
frequency" of an electron in the well [3]. This frequency is greatest for electrons closest to
the relevant electrochemical potential L or R , and so the peaks are widest for these
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higher energies. Thus, as Fig. 1 demonstrates for the transmission peaks, the broadest
Any nonzero density of electrons inside the well implies a Coulomb interaction
between the bound particles, generating a repulsive potential that interacts with the
existing well depth. Before we consider the interaction itself, though, we must calculate
the density contribution from every k value incident upon the system. We determine this
total density6 by taking the integral of all the individual n values with respect to energy,
(11)
N= min
n( E )dE
The well potential Vm rises linearly as a function of this density according to the
expression
Vm = V0 + c N (12)
where c is a constant that may characterize the properties of the particular material or
source of the potential barriers, and V0 is the well height before considering any
Coulomb interactions. Accounting for this dynamic potential, however, complicates the
situation in a nontrivial manner. As the depth of the well decreases, the electronic
each resonant level increases, the highest modes will simply pop out the top of the
well, and the wavefunctions will adjust to the newly perceived potentials (see Fig. 3).
This alteration of the density of electrons inside the new well changes the well depth,
which changes the effective density, and so the picture continues. The issue then
8
FIGURE 3. As the height of the potential well increases, the locations
of the resonant levels increase accordingly.
becomes a matter of determining a self-consistent model for this systemthat is, finding
RESULTS
We had expected that as the well potential increases and pushes out resonant modes, the
electron density would simply decrease. The observed case proved somewhat less
obvious than this. If both the + k and the k electrons are filled to the same chemical
potential (from Fig. 1, if L = R ), then there is a true Fermi level E f for the system
system depends on the parameters of both the barriers; switching the parameters of the
first and second barriers has no effect on the tunneling probability. Thus, if L = R ,
9
exactly the same number of electrons tunnels through the barriers from the left as from
density N as a function of Vm , we find that the levels actually increase initially, then
decrease smoothly as expected (see Fig. 4). This feature we explain by recalling two
previously mentioned characteristics: firstly, that the width of the resonant peaks (for T
accordingly. As we integrate T
finally does push out a resonant FIGURE 4. Plots for a 6.5 well. (a) The total density
decreases smoothly as a function of the well potential. (b)
The current for left-going and right-going electrons is
level completely, we equal, so there is no net current at equilibrium.
10
correspondingly observe a significant drop in the current and total density. This
For the non-equilibrium case, we cannot discuss a true Fermi level of the system,
but we can discuss the local quasi-Fermi levels F + = L and F = R [3]. When these
two are not equal, the behavior of the integrated density and currents proves slightly
more complicated than at equilibrium. Namely, the number of bumps in the curve
increases with well length, a direct result of the fact that there we only have local, quasi-
Fermi levels and not one true one for this non-equilibrium situation. For each bulge in
the equilibrium plots, we find two for non-equilibrium, corresponding to the differing
depends on the length of the quantum well (see Fig. 5). This result follows from the
previous consideration that longer well lengths correspond to modes of lower energies,
such that the number of resonant peaks in the longer wells is greater than that for the
shorter ones even as Vm increases. The self-consistent operating point of the system
occurs where we can satisfy Eq. (12)graphically, where plot of N vs. Vm and Vm vs. Vm
would intersect.
In all this Matlab modeling, we did not come away wholly unscathed from the
very small oscillations most pronounced when Vm is close to zero. These pesky
oscillations are a consequence of the sharpness of the first resonant peak and the
finiteness of the energy increment over which we integrate to obtain the current and
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FIGURE 5. The behavior of the density and current becomes more complex as length of the quantum
well increases. Plots of density and current shown are for well lengths of (a,b) 4, (c,d) 6.5, and (e,f) 9 angstroms.
total density. Matlab works very well with matrices and not as well with continuous
variables, such as we would ideally have the allowed incident energies. We use the
trapezoidal method of integration in the actual Matlab calculations. However, since the
12
first resonant peak is extremely sharp--sharpest for low Vm values--we sample a relatively
small number of points in this first peak. The height of this peak itself thus does not
consistently and accurately represent the true theoretical value, and we see an oscillation
in the height of the peaks with a period exactly equal to the increment of energy used set
in the code parameters. Smaller energy increments, though, correspond to more accurate
sampling of the resonant peaks; therefore, the amplitude and range of the oscillations
becomes markedly smaller for even a change of a factor of five in the energy step size.
On the other hand, the computational speed slows down just as noticeably.
APPLICATIONS
without really considering the actual, physical source of the potentials, or the possible
applications of such a system. We now turn our considerations in this direction and to a
mesoscopic size scale to discuss briefly resonant tunneling diodes, whose basic principles
of operation rely on the type of model we have just described. The operation of most
flow laterally along the heterojunctions [3]. In resonant tunneling diodes, however,
current flows transversely to the thin layer, in a vertical configuration (see Fig. 6).
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FIGURE 6. Resonant tunneling device. A GaAs layer a
few nanometers thick is sandwiched between two AlGaAs
barrier layers of similar thickness. Source: Supriyo Datta,
Electronic Transport in Mesoscopic Systems. (Cambridge
University Press, New York, 1995), p. 247.
We may think of the structure as a filter permitting only electrons of a particular energy
transmit, as mentioned earlier. When we apply a bias voltage, we lower the resonant
energies relative to the incident energies of the electrons from the emitter (here, the top
layer of GaAs). If we continue to increase the applied voltage past some threshold level
VT , the resonant level falls below the range of the emitters incident energiesin other
words, the energy level of the resonance is below that of the conduction band in the
emitter. Since the filter energy is lower than that of the conduction band, a bias
exceeding this threshold voltage effects a sharp drop in the observed current. At this
CONCLUSIONS
such as the behavior of the resonances, as well as some less-anticipated ones like the
14
shape of the N vs. Vm curves. Further efforts to relax some of the assumptions used in the
ACKNOWLEDGEMENTS
mentor, for all of his efforts this summer. Thanks are also in order for Drs. Kevin
Ingersent and Alan Dorsey, the director and associate director of the physics Research
Experience for Undergraduates (REU) program at the University of Florida, and Darlene
Latimer, whose coordination efforts facilitated this program. I also make a grateful
mention of the National Science Foundation for its sponsorship of these summer REU
programs.
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APPENDIX A: DERIVATION OF THE PROBABILITY CURRENT
Townsend
*
To see how the probability current arises, consider , the time rate of change of the
t
probability density. Using the time-dependent Schrdinger equation, we see that the
( x, t ) 1 D 2 2 ( x, t )
= + V ( x) ( x, t )
t iD 2m x 2
Therefore
* ( x, t ) 1 D 2 2 * ( x, t )
= + V ( x) * ( x, t )
t iD 2 m x 2
and
* *
= + *
t t t
D *2 2
* D 2 2
= + V ( x)
* + + V ( x )
iD 2m x 2 iD 2m x
2
D * * D
2 2 2 2
= +
iD 2m x 2 iD 2m x 2
* j
= x
t x
where
D *
jx = *
2mi x x
16
d b
dt a
dx * = j x (b, t ) + j x (a, t )
If the net probability of finding the particle between a and b increases, it does so because
of a net probability current flowing into the region either at a [positive current flows in
the positive x direction and hence j x (a, t ) > 0 means inward flow at a ] or at b [negative
current means current in the negative x direction and hence j x (b, t ) < 0 means inward
flow at b ]. Thus the probability in a region of space increases or decreases because there
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APPENDIX B: MATLAB M-FILES
parameters.m
resonant.m
resdens.m
resonantcomp.m
lengthen.m
nvsvm.m
18
%parameters.m
%created 29/06/01
%last modified 26/07/01
19
%resonant.m
%created 29/06/01
%last modified 26/07/01
%written by Shanna Crankshaw
k=sqrt(2*m*E/hbar^2);
q=sqrt(2*m*(V1-E)/hbar^2);
p=sqrt(2*m*(V2-E)/hbar^2);
%m23=m2*inv(m3);
m23=[cosh(q*w1) (-1/q)*sinh(q*w1); -q*sinh(q*w1) cosh(q*w1)];
if E>Vm
km = sqrt(2*m*(E-Vm)/hbar^2);
%m4=[exp(i*km*b) exp(-i*km*b); i*km*exp(i*km*b) -i*km*exp(-i*km*b)];
%m5=[exp(i*km*c) exp(-i*km*c); i*km*exp(i*km*c) -i*km*exp(-i*km*c)];
%m45=m4*inv(m5);
m45 = [cos(km*L) (-1/km)*sin(km*L); km*sin(km*L) cos(km*L)];
elseif E<Vm
km = sqrt(2*m*(Vm-E)/hbar^2);
%m4=[exp(km*b) exp(-km*b); km*exp(km*b) -km*exp(-km*b)];
%m5=[exp(km*c) exp(-km*c); km*exp(km*c) -km*exp(-km*c)];
%m45=m4*inv(m5);
m45 = [cosh(km*L) (-1/km)*sinh(km*L); -km*sinh(km*L) cosh(km*L)];
else
m45=[1 -L; 0 1];
end
%m67=m6*inv(m7)
m67=[cosh(p*w2) (-1/p)*sinh(p*w2); -p*sinh(p*w2) cosh(p*w2)];
M=inv(m1)*m23*m45*m67*m8; %[A;B]=M*[J;K]
T=abs(S(2))^2;
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%resdens.m
%created 24/7/01
%last modified 26/7/01
%written by Shanna Crankshaw
%finds the electron density n(k) inside the well for one value of Vm
%m32=m3*inv(m2);
m32=[cosh(q*w1) (1/q)*sinh(q*w1); q*sinh(q*w1) cosh(q*w1)];
if E>Vm
km = sqrt(2*m*(E-Vm)/hbar^2);
m4=[exp(i*km*b) exp(-i*km*b); i*km*exp(i*km*b) -i*km*exp(-i*km*b)];
mu = inv(m4)*m32*m1;
Mu = mu*[1; S(1)];
F=Mu(1); G=Mu(2);
n=L*(abs(F))^2+L*(abs(G))^2+((F*conj(G))/(2*i*km))*(exp(2*i*km*c)-
exp(2*i*km*b))
-((conj(F)*G)/(2*i*km))*(exp(-2*i*km*c)-exp(-2*i*km*b));
elseif E<Vm
km = sqrt(2*m*(Vm-E)/hbar^2);
m4=[exp(km*b) exp(-km*b); km*exp(km*b) -km*exp(-km*b)];
mu = inv(m4)*m32*m1;
Mu = mu*[1; S(1)];
F=Mu(1); G=Mu(2);
(2*km))*(exp(-2*km*c)-exp(-2*km*b));(2*km))*(exp(2*km*c)-exp(2*km*b))-
(abs(G)^2/
else
m4=[b 1; 1 0];
mu = inv(m4)*m32*m1;
Mu = mu*[1; S(1)];
F=Mu(1); G=Mu(2);
n=(1/3)*(abs(F)^2)*(c^3-b^3)+(1/2)*(F*conj(G)+conj(F)*G)*(c^2-
b^2)+L*abs(G)^2;
end
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%resonantcomp.m
%written by Shanna Crankshaw
%last modified 26/07/01
%creates density vectors for inside the well
%calculates current
format long;
parameters
for E = Emin:Eincr:muL
resonant;
resdens;
energyTl = [energyTl E];
Tl = [Tl T];
nl = [nl n];
end
for E=Emin:Eincr:muR
resonant;
resdens;
energyTr = [energyTr E];
Tr = [Tr T];
nr = [nr n];
end
energynl=energyTl;
energynr=energyTr;
lengthen; %makes energynl and energynr the same length
n=nl+nr;
parameters %resets parameters for calculation of next +k state
22
%lengthen.m
%last modified 18/07/01
%written by Shanna Crankshaw
if length(nl)>length(nr)
nright = 0*nl;
nright(1:length(nr)) = nr;
for count=length(nr)+1:length(nl)
nright(count) = 0;
end
nr = nright;
clear nright
energynr = energynl;
elseif length(nl)<length(nr)
nleft = 0*nr;
nleft(1:length(nl)) = nl;
for count=length(nl)+1:length(nr)
nleft(count) = 0;
end
nl = nleft;
clear nleft
energynl = energynr;
else
nl=nl;
nr=nr;
end
23
%nvsvm.m
%last modified 26/07/01
%written by Shanna Crankshaw
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REFERENCES
[2] Paul Stevenson, Introductory Quantum Mechanics: A Second Course (Lecture notes for
Physics 312). (Rice University, Houston, TX, 2001), p. 1.2.
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