PHZ6426: Fall 2013

Problem set # 1: Solutions

Instructor: D. L. Maslov
maslov@phys.ufl.edu 392-0513 Rm. 2114
Office hours: TR 3:00 p.m.-4:00 p.m.
Please help your instructor by doing your work neatly.
Units Rule: Every (algebraic) final result must be supplemented by a check of units. Without such
a check, no more than 75% of the credit will be given even for an otherwise correct solution.
AMAshcroft and Mermin

...
1. Estimates. [15 points]
In the problems below, you need to obtain only an order-of-magnitude estimate without doing the actual
calculations. Long solutions, even if correct, will not be accepted.
(a) In certain materials, e.g., graphene, electrons behave as Dirac fermions, i.e., ultra-relativistic particles
with dispersion E = h
v0 k, where the speed of light, v0 , is much smaller in magnitude than the real speed
of light (typically, v0 106 m/s). Suppose that a gas of Dirac fermions is confined to a cubic container of
side L. The total number of fermions is N . The temperature is equal to zero. Estimate the pressure that
the gas exerts on the walls.
Solution: Pressure is an intensive thermodynamic variable and, as such, it can depend on the number
of particle and the system size only via the number density n = N/L3 . The units of pressure are [P ] =
[force]/[L]2 = [energy]/[L]3 , therefore P must be of order of the energy per unit volume at T = 0. The
relevant energy per fermion at T = 0 is the Fermi energy, EF hv0 n1/3 , and there are n fermions per unit
volume. Therefore, P EF n
hv0 n4/3 = h
v0 (N/L)4/3 .
(b) Estimate the Fermi energy of the Dirac gas in the previous example.
Solution: See a): EF
hv0 n1/3 = h
v0 (N/L3 )1/3 .
(c) A hydrogen atom is placed into a strong magnetic field B. The orbital effect of the field is to squeeze the
electron orbit. Estimate the
field at which the radius of the orbit is about a factor of two smaller than at B = 0.
Solution: One can think in terms of relevant energies. The binding energy of an electron in the hydrogen
atom is the Rydberg: ER me4 /
h3 . If the electron were free, the magnetic field would quantize the energy
level with the characteristic spacing determined by the cyclotron frequency: Ec = h
c = h
eB/mc (SGS).
The field can be considered strong enough when Ec is comparable to Ry, from which one determines the
characteristic field scale as
Bch = m2 e3 c/h3 .
Alternatively, one can compare the relevant spatial scales.The radius of the orbit in the absence of the
field is the Bohr radius, aB = h
2 /me2 . The characteristic scales of the wave function in
p a magnetic
hc/eB (the
field is the magnetic length, `B , related to h
c via h
c h2 /m`2B , which gives `B =
numerical coefficient happens to be equal to unity). Equating aB and `B , we arrive at the same result
for the characteristic magnetic field as before. Substituting the numerical values of fundamental constants
(stripped off the numerical prefactors), we obtain Bc 109 G= 105 T.
(d) The typical binding energy in solids is on the order of a few eV, while the typical bond length is on the
3
order of one
A. Estimate the pressure it takes to crack a solid. Solution: As in a), P 1eV/
A
2
1011 N/m 106 atm. This is a theoretical value appropriate for ideal monocrystals. Cracking of real
solids depends strongly on the number and type of defects they contain, the most important type of defects
being so-called dislocations. Real cracking pressures are much smaller than the theoretical limit.
(e) Estimate the temperature of the crossover between the Fermi-Dirac and Boltzmann statistics for electrons
in a semiconductor. The number density is 1017 cm3 and the effective electron mass is 0.1 of the electron
mass in vacuum.

2
Solution: The crossover occurs at T TF = EF /kB h2 n2/3 /m 10 K.
2. Dirac-Kronig-Penney model. [20 points]
Consider the Dirac-Kronig-Penney model with an attractive potential:
X
U (x) = U0
(x na),
n

where U0 > 0.
(a) Find numerically and plot as a function of the dimensionless parameter u mU0 a/h2 the widths of ? few
first energy bands.
(b) Find the analytic result for the energy spectrum in the tight-binding limit, when u  1.
Solution
(a) Unlike for the case of potential barriers where the energy was bounded from below by zero, now we can
have both positive and negative energies. Consider first the case of E > 0. In this case, the equation for
energy spectrum differs from Eq. (0.3) in the notes only in the sign of the second term on the right-hand
side:
cos ka = cos qa u

sin qa
,
qa

(1)

where u = mU0 a/
h2 . The right-hand side of this equation is plotted as a function of qa/ in Fig. 1 for
u = 2, 4, 10.
For E < 0, the wavefunctions in intervals I and II change to
I = Aex + Bex
II = Cex + Dex

h being real. The equation for the energy spectrum can be obtained from the equation
with = 2mE/
in the notes by replacing qa ia and u u. This gives
cos ka = cosh a u

sinh a
.
a

(2)

The right-hand side of this equation is plotted in Fig. 2 for u = 0.5, 1, 3, 4. The RHS is now a non-oscillatory
function of a, therefore, only one band is possible. (For u > 3, the RHS has a minium but the value of
RHS at qa = 0 is already below 1, so only one solution is possible).
(b) For E > 0, one simply needs to flip the sign of U0 in the result presented in the notes. This yields
E = E0 + 2J (1 + cos ka) = E0 + 2J 2J (1 cos (ka)) ,
where
E0

2 h2
2 h4
;
J

.
2ma2
2m2 a3 U0

In contrast to the potential-barrier case, the band is hole-like near k = 0, where E E0 + 2J Jk 2 a2 ,

2
and electron-like near the edges of the Brillouin zone, where E0 + 2J J (k /a) a2 . The next band is
electron-like at k = 0 and hole-like near the edges, etc.
Now consider E < 0. If u  1, solution of (2) is only possible near the zero of RHS, defined by the equation
(x a, y ka)
coth x0 =

u
.
x0

(3)

3
1.0

0
0.5

4
x

K2

0
1

K1

K4

K2

K6

0.5

K8

1.0

K3
8

0
0.5

1.0

1.5

FIG. 1: Positive energies (E > 0). a) u = 2. Solutions are possible for almost all k except for narrow regions. b) u = 4.
Forbidden gaps widen up. c) u = 10. Further widening of the gaps. d) Graphical solution of Eq. (1). Blue lines indicate the
minimum and maximum values of cos ka.

Since coth x0 1 at x0  1, we have x0 u, which is already clear from the plots of RHS in Fig. 2 for
u > 1. Define x = x0 + with  x0 and expand the RHS to 1st order in :
sinh (x0 + )
x0 +
u
cosh x0 + sinh x0
(sinh x0 + cosh x0 ) (1 /x0 )
x0




u
u
u
cosh x0
sinh x0 + sinh x0
cosh x0 + 2 sinh x0 + O 2 .
x0
x0
x0

cos y = cosh (x0 + ) u

The first term vanishes because of condition (3). The second term reduced with the help of (3) to




cosh2 x0
sinh2 x0 cosh2 x0
=
(sinh x0 coth x0 cosh x0 ) = sinh x0
sinh x0
sinh x0

.
=
sinh x0
Since x0 u  1 and sinh x0 ex0 /2, this term is exponentially small and can be neglected. Finaly, the
third term becomes
u

cosh x0
sinh x0 =
coth x0 sinh x0 =
.
x20
x0
x0
This term is exponentially large. Keeping only the third term, the equation for reduces to
cosh x0
x0
x0
=
cos y
cosh x0
x0
x = x0 +
cos y
cosh x0

cos y =

4
40

30

20

10

FIG. 2: Negative energies. Only one band is possible.

or, replacing x0 by u and cosh u by eu /2

a = u + 2ueu cos y.
Solving for energy and neglecting the square of the second term, we obtain for the energy dispersion within
the allowed band


2
h
u2 + 4u2 eu cos ka = E00 2J 0 cos ka
2
2ma
= E00 + 2J 0 + 2J 0 (1 cos ka)

E =

2 2
h
u
2ma2
h2 2 u
J0 =
u e .
ma2

E00 =

This is an electron-like band of an exponentially narrow width.

3. A bit of lattice dynamics: diatomic chain. [15 points]
Show that the dispersion relation of a diatomic chain, consisting of atoms with masses M1 and M2 separated
by distance a and connected by springs of constant K, is given by
s


2
1
1
1
1
4
2
=K
+
K
+

sin2 qa.
M1
M2
M1
M2
M1 M2
What is the main difference between the dispersions of the monoatomic and diatomic chains?
Solution: Equations of motion for two neighboring atoms of masses M1 and M2 read:
M1 u
n = K(un+1 + un1 2un ),

(4)

M2 u
n+1 = K(un+2 + un 2un+1 ).

(5)

5
Try a solution in the form of a propagating wave with two different amplitudes: A1 for atoms of mass M1 and
A2 for atoms of mass M2 :
un = A1 ei(qxn t) ,
un+1 = A2 e

i(qxn+1 t)

(6)
,

etc.

(7)
(8)

where xn = na. Substituting this solution into eqs. of motion and canceling the common oscillatory factors
leads to the system of equations for the amplitudes:


M1 2 + 2K A1 2KA2 cos qa = 0
(9)


2
2KA1 cos qa + M2 + 2K A2 = 0.
(10)
This homogeneous system of linear equations has a non-trivial solution if and only if its determinant is equal
to zero:


 M1 2 + 2K 2K cos qa 


(11)
 2K cos qa M2 2 + 2K  = 0,
which is equivalent to the 4th order equation for :


1
4K 2
1
4
+
2 +
sin2 qa = 0.
2K
M1
M2
M 1 M2

(12)

The solutions to the last equation are given by


1
1
= K
+
M1
M2
s
2
1
1
4
K
+

sin2 qa.
M1
M2
M1 M 2

(13)
(14)

The main difference compared to the monoatomic chains is in that there are now two branches of the spectrum,
as shown in Fig. 3 The dispersion of the branch becomes linear in the limit q 0. This is an acoustic
branch named so because the ratio of the amplitudes
A1
2K cos qa
=
A2
2K M1 2

(15)

in this case approaches unity for q = 0, i.e., the neighboring atoms oscillate in phase. The + approaches a
finite limit + (0) = 2K(1/M1 + 1/M2 ) at q 0. This is an optical branch, because A1 = (M2 /M1 )A2 at
q = 0, i.e., atoms oscillate out of phase around their common center of mass. If atoms carry opposite charges,
oscillations of this type generate dipole moments and can be excited by electromagnetic waves. Notice that
the wavenumber of electromagnetic radiation ql = /c is very small compared to the inverse lattice constant
because the speed of light is so large, and thus light can excite only phonons with q 0.
4. Density of states, Fermi energy. [15 points]
As a reminder, the density of states (DoS), g(E), is defined in such a way that g(E)dE is equal to the number
of levels (per unit volume of the sample) with energies in the interval from E to E + dE in the limit of dE 0.
One way to calculate the DoS is to equate g(E)dE to the number of states in the corresponding interval of the
wavenumbers. In 1D, the interval dk contains 2 dk/(2/L) = dkL/ states (an extra factor of 2 accounts
for two projections of the electrons spin and L the length of the system). Another factor of 2 comes from two
directions of the electron motion. Thus, the total number of states can be found in two equivalent ways: as
Lg(E)dE and as 2dkL/. Equating these two results, we obtain
g(E) =

2
1
2dk
=
,
dE
|dE/dk|

FIG. 3: a) Acoustic (red) and optical (blue) branches of the spectrum for a diatomic chain as a function of qa/. Parameters:
M2 /M1 and K = 1.

(the absolute value sign guarantees that the number of levels is a positive definite quantity).
In class, we showed that the spectrum of electron in a 1D periodic potential and in the tight-binding limit can
be written as
E = 2t (1 cos(ka))

(16)

with /a k /a.
(a) Analyze and explain the behavior of the density of states at E 0 and E 4t.
(b) Find the dependence of the Fermi energy on the electron number density.
Solution
(a)
p
|dE/dk| = 2ta |sin ka| = 2ta 1 cos2 ka
q
2
= 2ta 1 (1 E/2t)

g(E) =

(17)
(18)

1
1
q
.
ta
2
1 (1 E/2t)

(19)

g(E) is plotted in Fig. 4 as a function of E/t.

Notice that g(E) can be written as
g(E) =

1
2

.
a E 4t E

(20)

For E 0 (energy at the bottom of the band)

1
1
g(E) ,
a t E
which coincides with the density of states of a free electron system D0 (E) =
cation m = h
2 /2ta2 . Near the top of the band, E 4t, and
g(E) =

(21)

2m /h E upon identifi-

1
1

.
a t 4t E

This again coincides with the DOS of free particles in 1D if the energy is measured from 4t.

(22)

FIG. 4: DOS of a 1D tight-binding model (arbitrary units) as a function of E/2t.

(b) The Fermi energy is determined from the condition

EF

2
a

EF

2
1
=
dE
a
E 4t E
0
0

with x E/4t. The integral is solved via a substitution y = x

n=

dEg(E) =

Z
0

x0

1
dx
=2
x 1x

Z
0

x0

Z
0

EF /4t

1
dx
x 1x

1
dy p
= 2 arcsin( x0 ).
2
1y

(23)

(24)

Solving for EF gives

EF = 4t sin2

an
.
4

(25)

In the limit of almost empty band, na/4  1, this formula coincides with the result for free electrons
2 /2ta2 .
EF = h
2 kF2 /2m upon identifying kF = n/2 and m = h
5. Fermi-Dirac Statistics. [15 points]
The chemical potential of a free electron gas is determined from the condition that the total number of
occupied states is equal to the number of electrons
Z
dD k
1
n=2
,
(26)
(2)D exp [(Ek )/kB T ] + 1
where D is the dimensionality of space. Find the chemical potential for free electrons in D = 2. Analyze and
sketch the dependence of on the temperature.
Hint: Make a substitution x = exp((E )/T ) to solve the integral
Z
1
dE
.
exp(E/kB T ) + 1
0
Solution: A convenient feature of the 2D case is that one switch from integration over k to integration of
Ek = h
2 k 2 /2m:
Z
m
1
n=
dEk
.
(27)
2
exp[(E

)/k
h 0
k
BT ] + 1
Note that the Fermi energy (the chemical potential at kB T = 0) in 2D is given by
(0) = EF = h
2 n/m,

(28)

8
so the last equation can be written as

Z
EF =

dEk
0

1
.
exp[(Ek )/kB T ] + 1

(29)

Introduce a new variable

x eEk /kB T ,

(30)

dEk = kB T dx/x; 1 x < ,

(31)

such that

The integral then reduces to

Z

dx
1
x x exp(/kB T ) + 1
Z
dx
1
= kB T exp(/kB T )
x x + exp(/kB T )
1

Z 
1
1

= kB T
,
x x+a
1

EF = kB T

(32)

(33)
(34)

where a exp(/kB T ). Each of the two integrals in the last line is divergent, but the difference of them is
convergent. To solve the integral in the last line, replace the upper limit by an arbitrarily large number, to be
taken to infinity at the end:


Z X
Z 
1
1
1
1

= lim

X 1
x x+a
x x+a
1
X +a
= lim (ln X ln
)
X
1+a
X(1 + a)
= lim ln
X
X +a
= ln(1 + a).
(35)
Substituting this result into the equation for , we get
EF
= ln(1 + exp(/kB T )),
kB T

(36)

= kB T ln [exp(EF /kB T ) 1] .

(37)

or

For kB T  EF , exp(EF /kB T )  1, and is very close to its zero-temperature value (EF )
= EF kB T exp(EF /kB T ) + . . .
This is the limit of quantum, Fermi-Dirac, statistics. In the opposite limit, when kB T  EF , exp(EF /kB T )
1 + EF /kB T , and
= kB T ln(EF /kB T ) < 0.

(38)

This is the limit of classical, Maxwell-Boltzmann, statistics.Because is positive at low temperatures and
negative at high temperatures, there must be a temperature at which it vanishes. Equation (37) predicts that
this temperature is T0 = EF /kB ln 2.
A 2D free electron gas is a rare case of a many-body problem when the dependence of the chemical potential
on the temperature can be found in a closed form.

9
1

K1

K2

FIG. 5: The chemical potential in units of EF as a function of the temperature in units of EF /kB .

6. Two-band Drude model. [20 points] Suppose that a 2D electron gas contains charge carriers of two types,
characterized by different charges qi , densities ni , effective masses mi , and relaxation times i (i = 1, 2). The
electric field is in the plane and the magnetic field is perpendicular to the plane. Using semiclassical equations
of motion for each of the carriers
pi
p i = qi E + qi vi B
i
with i = 1, 2, show that the longitudinal resistivity and the Hall coefficient are given by
1 2 (1 + 2 ) + (1 R22 + 2 R12 )B 2
;
(1 + 2 )2 + (R1 + R2 )2 B 2
R1 22 + R2 21 + R1 R2 (R1 + R2 )B 2
xy
=
=
,
B
(1 + 2 )2 + (R1 + R2 )2 B 2

xx =

(39)

RH

(40)

where
i mi /qi2 ni i and Ri 1/ni qi .

(41)

Analyze the special case q1 = q2 and the limits B 0, B . Show that in the limit of 1 2 and
R1 R2 , xx and RH reduce to corresponding expressions for a single type of carriers with the number density
2n1 = 2n2 .
Note that, contrary to the single-carrier case, the resistivity (53) does depend on B. These results apply to 3D
as well.
Solution: As two subsystems of carriers are independent, they can be considered as two resistors in parallel.
The currents are divided between the bands while the voltage drops are the same. There is no current and,
therefore, no electric field along the magnetic field, so the problem is effectively 2D. Then




Ex
jx1
= 1
(42)
Ey
jy1




Ex
jx2
= 2
,
(43)
Ey
jy2
where the in-band resistivities are obtained by inversion of the in-band conductivies. For each of the bands,


i
1
ci i
, i = 1, 2,

i=
2
ci i 1
1 + (ci i )
therefore,
1

i= = (
i )


= i

1
ci i
ci i 1


, i = 1, 2,

(44)

10
where i = e2 ni i /mi , i = 1/i , and ci qi B/mi . Eqs. (42,43) represent a system of 4 equations for 6
variables. To make the system complete, we need two more equations. These are
jx = jx1 + jx2 ,

(45)

jy = jy1 + jy2 = 0.

(46)

The last line means that there is no current in the direction transverse to the applied electric field (Hall
geometry). Each of the subsystems can carry the y-component of the current, but their sum must be equal to
zero. To solve the system, exclude jx2 in favor of jx1 , and jy2 in favor of jy1 . Equating the like components of
E in Eqs.(42, 43) , we get a closed system for jx1 , jy1 :
(1 + 2 )jx1 (1 c1 1 + 2 c2 2 )jy1 = 2 jx

(47)

(1 c1 1 + 2 c2 2 )jx1 (1 + 2 )jy1 = 2 c2 2 jx .

(48)

The solutions are given by

2 (1 + 2 ) + 2 c2 2 (1 c1 1 + 2 c2 2 )
jx ,
(1 + 2 )2 + (1 c1 1 + 2 c2 2 )2
2 (1 + 2 )c2 2 2 (1 c1 1 + 2 c2 2 )
=
jx .
(1 + 2 )2 + (1 c1 1 + 2 c2 2 )2

jx1 =

(49)

jy1

(50)

Plugging these solutions into Eq.(42), we get

Ex =

2 2
2 2
1 2 (1 + 2 ) + 21 2 c1
1 + 1 22 c2
2 )
jx .
2
2
(1 + 2 ) + (1 c1 1 + 2 c2 2 )

(51)

The proportionality coefficient between Ex and jx is xx . It reduces to the form given in the formulation of the
problem by re-writing
i ci i = Ri B.

(52)

Relation between Ey and jx gives the Hall coefficient.

In the special case q1 = q2 > 0 (the last inequality is for the sake of convenience only), R1 = |R2 | and
1 2 (1 + 2 ) + (1 R22 + 2 R12 )B 2
;
(1 + 2 )2 + (R1 |R2 |)2 B 2
R1 22 |R2 |21 + R1 R2 (R1 |R2 |)B 2
.
=
(1 + 2 )2 + (R1 + R2 )2 B 2

xx =

(53)

RH

(54)

Suppose that n1 = n2 . (Such a system is called compensated: the charge densities are equal in magnitude and
opposite in sign. Examples: semiconductors doped with donors and acceptors simultaneously; semimetals (bismuth, graphite, antimony, etc.) Then the Hall coefficient ceases to depend on the magnetic field. Furthermore,
if 1 = 2 , then RH = 0. This is what one should expect for a compensated system because
RH =

1
1
+
=0
q1 n1
q 2 n2

for q1 n1 = q2 n2 .
For identical subsystems, 1 = 2 and R1 = R2 R
23 + 2R2 B 2
= /2;
42 + 4R2 B 2
2R2 + 2R3 B 2
=
= R/2,
42 + 4R2 B 2

xx =

(55)

RH

(56)

which is simply the effect of doubling the charge density.

11
The same results can be obtained in a more formal way by noticing that, since two bands are connected in
parallel, the total conductivity

=
1 +
2
and the total resistivity is
1

= (
1 +
2 )

1 1
1
2
2 + 1+2
2
1+
2
 1+1
1
2 2
1
1 1
1+2 + 1+2 1+2
1
2
1

= (
)

For brevity, denote i ci i . Then

2 2
1+22
2
1+22

!
.

Now,
xx =

1
1+21

2
1+22

Det

where

Det =

2
1
+
1 + 12
1 + 22

2


+

1 1
2 2
+
1 + 12
1 + 22

2
.

The rest is just algebra:

xx = 

1
1+21

1
1+21
2

2
1+22

1
=
(1 + 22 ) (1 + 12 )
=

1
(1 + 22 ) (1 + 12 )

+
+

2
1+22

1 1
1+21

2 2
1+22

1 1 + 22 + 2 1 + 12
2 
2

12
22
1 2
1 1
2 2
1 2 1 2
+
+
+ 2 1+
2 +
2 + 2
2
2
2
2
2
2
2
2
1+
1+
(1+2 )(1+1 )
(
1
21
(1+1 )
(1+2 )
2 )(1+1 )




1 1 + 22 + 2 1 + 12
12
1+21

22
1+22

2

=
=
=

2

21 2

(1+22 )(1+21 )


2

(1 + 1 2 )

1 1 + 2 + 2 1 + 1
2
(1 + 2 ) + 22 (1 + 12 ) + 21 2 (1 + 1 2 )




1 + 22 /1 + 1 + 12 /2
(1 + 22 ) /21 + (1 + 12 ) /22 + 2 (1 + 1 2 ) /1 2




1 22 1 + 22 + 2 21 1 + 12
21 (1 + 12 ) + 22 (1 + 22 ) + +2 (1 + 1 2 ) 1 2
12

Recalling that i i = Ri B, we obtain

xx

1 2 (1 + 2 ) + 1 R22 + 2 R12 B 2
= 2
1 + 22 + 21 2 + 21 12 + 22 22 + 21 2 1 2


1 2 (1 + 2 ) + 1 R22 + 2 R12 B 2
=
,
2
(1 + 2 ) + (R1 + R2 )2 B 2

which is the desired result. Similar for xy .