Physics , Condensed Matter

Homework Due Tuesday, th October

Jacob Lewis Bourjaily
Problem 1: Electron in a Weak Sinusoidal Potential1 Consider an electron moving in a one-dimensional periodic potential U (r) = V cos (2r/a). We are to obtain the eigenenergies n (q ) and corresponding wavefunctions n,q (r) of the lowest two bands, treating the potential perturbatively. a) Away from the edge of the Brillouin zone, there are no degeneracies in the lowest energy band. Using this fact, we are to compute 1 (q ) to order V 2 and the corresponding wavefunctions to order V . We begin by doing what amounts to Fourier transforming (r) into momentum space, making use of Blochs theorem to write q (r) =
G

cqG ei(qG)r ,

(1.a.1)

where G represents the reciprocal lattice, which is in this one-dimensional problem generated simply by b 2a . Following Ashcroft and Mermin, we will study the Schr odinger equation in momentum space:
2

2m

(q G) cqG +

U G G cq G = 0 ,
G

(1.a.2)

where Uk are Fourier modes of the potential. In our case, this is extremely easy to extract: every kindergartener should be able to take the Fourier transform of a cosine; we nd: V U+1 = U1 = and Ui=1 = 0. (1.a.3) 2 We are going to be interested in a wave function concentrated well within the rst Brillouin zone, in the limit where there are no nearly degenerate bands. Writing 2 2 odinger equation, we see 0 q = 2m q and inserting our potential Uk into the Schr 0 q cq = V ( c q +b + c q b ) 2 = cq = V (cq+b + cqb ) . 2( 0 q) (1.a.4)

This expression does not reect our interest in the rst Brillouin zone: it is valid for all q . Indeed, we see that we can iteratively unfold the equation to obtain an V expansion in terms of 2( : 0 )
q

cq = = =

V ( c q +b + c q b ) , 2( 0 q) V 2( 0 q) V 2 cq 4( 0 q) V V (cq + cq+2b ) + (cq + cq2b ) , 2( 0 ) 2( 0 q +b q b ) 1 1 + 0 ( q+b ) ( 0 q b ) + 8( 0 q )(

(1.a.5) (1.a.6)

V3 (cq+b + cq+3b ) + (b b) ; 0 0 q+b )( q+2b ) (1.a.7) we may safely drop the O(V 3 )

&tc. Now, because we are expanding in

V , 2(0 q)

terms. Also, notice that in the curly brackets that we have the expressions 0 q b . Now, because the bands are non-degenerate and we know the band energies are only 0 0 aected by terms leading in V 2 , we can are allowed to take ( 0 qb ) (q qb ) to this order of approximation. With that in mind, we may divide both sides of the expression above by cq /( 0 q ) obtaining ( 0 q) = V2 4 1 1 0 ) + (0 0 ) (0 q q q +b q b + O(V 3 ). (1.a.8)

1Note added in revision: the solution presented follows Ashcroft and Merminwhich is absolutely horrendous. The entire rst problem can be done in a couple of lines if you read the rst few pages of Griths Quantum Mechanics chapter on (time independent) perturbation theory rst! Honestly, believe me; learn non-degenerate perturbation theory rst (and see how to apply it in the degenerate case) and the problem will be MUCH easier.
1

JACOB LEWIS BOURJAILY

It is not altogether delightful, but this expression can of course be quite dramatically simplied. = 0 q + = 0 q + = V 2 2m 4 2b V 2m
2 2

2q + b 2q + b (4q 2 b2 ) 1 (4q 2 4
2 4 2 a2 )

+ O(V 3 ),

+ O(V 3 ),
2 a2

2m

q2 +

V 2m q2

+ O(V 3 ).

(1.a.9)
o o

Now we are asked to determine the corrected wave function to leading order in V . To do this, we start by combining the right hand sides of equations (1.a.5) and (1.a.7): V V 2 cq ( c + c ) = q + b q b 2( 0 4( 0 q) q) = (cq+b + cqb ) = cq = cq V 2 2
2

(0 q

1 1 + 0 0 q+b ) (q 0 q b )

+ O(V 3 ),

1 1 0 ) + (0 0 ) (0 q q q +b q b Vm q2
2 a2

+ O(V 2 ), (1.a.10)

+ O(V 2 ).

Now, remember that equation (1.a.4) allows to write cqb in terms of cq and cq2b , for example. Using this to rearrange equation (1.a.10), we see Vm c q +b = c q b + c q + O(V 2 ), 2 2 2 q2 a2 V Vm = 0 (cq + cq2b ) + cq + O(V 2 ), 2 2 2(q 0 ) 2 q2 q b a2 = cq = cq 2 2
2 2

Vm aq + O(V 2 ). (1.a.11) 1 2 2 4 q a2 We dont need to reproduce the above steps for cqb : it comes for free once we have c q +b : Vm c q b = c q +b + c q + O(V 2 ), 2 2 2 q2 2 a c q +b = c q
2

Vm q2

Vm q2
2 a2

2 a2

2(0 q

V 0 q b )

+ O(V 2 ),

1 (aq + ) + O(V 2 ); 2

= cq

qa Vm 1+ + O(V 2 ). 2 2 4 q a2 Inserting this in the expansion for q (r), we nd directly, cq b = cq

2

Vm q2

2 a2

1 qa 1 2

+ O(V 2 ); (1.a.12)

q (r) = cq eiqr + cq+b eiqr eibr + cqb eiqr eibr + O(V 2 ), = cq eiqr 1+ 4
2

Vm q2 2
2

2 a2

1
2 a2

aq irb qa irb e + 1+ e cos 2r a iqa sin 2r a

+ O(V 2 ); . (1.a.13)

q (r) = cq eiqr

1+

Vm q2

o o

PHYSICS : CONDENSED MATTER HOMEWORK

b) At the edge of the Brillouin zone there are degeneracies for small V . We are to work perturbatively near the zone edge to diagonalize the single electron Hamiltonian within the two-state Hilbert space of the two nearly-degenerate lowest-energy free-electron momentum eigenstates of the same crystal momentum. Then, we are to add the eects of the higher bands perturbatively. We are to obtain the eigenenergies of the lowest two energy bands to order V 2 and the wave functions to order V as before. We are to verify that for small V these results match our work for part (a) when one moves far enough away from the edge of the Brillouin zone. We are to sketch the dispersions n (q ) and determine how small V must be for this perturbation analysis to be reliable. We are going to proceed along lines similar to those encountered in part (a). Specically, let us start by again by equating the right hand sides of equations (1.a.5) and (1.a.7) only this time, we will not use the assumption that all the eigenenergies are nondegenerate. ( 0 q) = V2 4 1 1 + ( 0 ) ( 0 q +b q b ) + O(V 3 ). (1.b.14)

Now, we are going to consider perturbing the system near the Bragg plane at q = a; this will mean that we can consider the term 0 where 1 / is at most linear q +b in V we will justify this and give an explicit expression for later. Manipulating equation (1.b.14), we see that 0 q ( qb ) =
0 = 2 0 q + q b +

V2 4

1+

0 q b V2 4 1

+ O(V 3 ), 0 q b = 0.

V2 4

0 + 0 q q b

This quadratic is easily solved by calling upon kindergarten identities: = 1 2

0 0 q + q b +

V2 4

1 2

0 0 q + q b +

V2 4

2 0 2 4 0 q q b + V 2

1
2

0 q b

1/2

1 = 2

0 q

0 q b

V2 + 4

1 2

0 q

0 q b

V2 + 4

1/2

+V

(1.b.15)
o o

To evaluate the expression, one can simply insert the equation itself iteratively into = 0 q+b and observe that that it always gives a well-dened expression up to terms of order O(V 3 )2. This band structure is shown in Figure 1. We should check that this result makes senseand verify that it agrees with our previous work once we are far enough away from the Bragg plane. First, notice that at the Bragg plane, where q = b q = /a, we have q= a V2 V V2 1+ 8 2 16 2 2 2 V V2 = + + O(V 3 ). 2 m a2 2 8 = 0 /2 +
2 1/2

Inserting this into denition of as prescribed, we obtain q= a = 2 V V 2 ma2 + O(V 3 ). 2 m a2 2 32 2 2 (1.b.16)

2The reason for being implicit here is that the two cases we are interestednear and far from the Bragg planegive

dierent results; but the implicit expression is always correct.

JACOB LEWIS BOURJAILY

40

Energy Eigenvalue

30

20

10

0 0 0.5 1 1.5 2 Momentum q 2.5 3

Figure 1. The second-order band structure for a one-dimensional system in a weak sinusoidal potential. Similarly, we can check that equation (1.b.15) gives the right answer when we are far enough away from the Bragg plane. When we are far from the Bragg plane, then 0 2 0 q qb V so that we may expand 1 = 2 0 q + 0 q b V2 + 4 1 2 0 q 0 q b V2 + 4
2 1/2

+V

, 2 1/2 ,

1 V2 V2 V2 0 0 0 0 1 + + + + q q b q q b 2 2 4 0 0 0 4 0 q q b q q b 1/2 V2 1 V2 V2 0 0 0 0 4 , = q + q b + + + O(V ) q q b 1+ 2 2 4 0 0 0 0 2 q q b q q b 2 2 2 1 0 V V V 0 = q + 0 0 + + O(V 4 ) . q b + q q b + 2 4 4 0 0 2 =

q q b

Taking the solution corresponding to the lower band3, 1 (q ) = 0 q + = 0 q + V2 4 V2 4 1 1 1 + 0 + 2 q 0 2 q b 0 q 1 1 + 0 0 q +b q 0 q b

+ O(V 3 ), + O(V 3 ),

and this we recognize as equation (1.a.8), which implies that this formula (1.b.15) does indeed agree with our results from part (a).
o o

Our last task is to determine the wave function for electrons at the Bragg plane to rst order in V . We will follow similar lines of thought to those travelled in part (a). Using the same logic as thereonly this time being careful not to ignore degeneracieswe can begin our work with the equations c q +b + c q b = c q V 2 1 1 + 0 ( q+b ) ( 0 q b ) + O(V 2 ) and cq = V (cq+b + cqb ) . (1.b.17) 2( 0 q)

The solutions corresponding to the respective sign the equation (1.b.15) have now switchedthis is simply because
0 0 q q b

when we extracted

from the square root, the signs one again become arbitrarily assigned.

PHYSICS : CONDENSED MATTER HOMEWORK

This system yields exactly our result in part (a) for the case of cq+b : c q +b = c q c q +b = c q c q +b = c q c q +b = c q V 2 V 2 1 1 + ( 0 ) ( 0 q +b q b ) cbq + O(V 2 ), + O(V 2 ),

V + O(V 2 ), 2( 0 ) q +b

1 1 1 + 0 0 ( q+b ) ( qb ) ( 0 q b )

V 2 0 ) + O (V ), 2(0 q q +b

= cq

V 2 ma + O(V 2 ); 4 2 (q + ) a

qa V2 1 + O(V 2 ). (1.b.18) 2 2 2 4 q a2 The story changes, however, for cqb . It is not hard to jump a bit in the calculation and see V cq b = cq + O(V 2 ). (1.b.19) 2( 0 q b ) Now, from our calculation of the eigenenergies at the Bragg plane we know that c q +b = c q /a 0 /ab = so we see cq b = cq 2 V 2 = cq 1 cq b = cq 1+ 8
2

V V 2 ma 2 16 2 q + V
V 16 2 (q+ a)
2 ma

+ O(V 3 ),

(1.b.20)

+ O(V 2 ),

1
V 8
2 ma 2

+ O(V 2 ), qa 1 aq

(q+ a)
2 a2

Putting all this together, we see

iqr q = (r) = cq e
a

Vm q2

+ O(V 2 ). eibr 2 eibr 4

(1.b.21)

1 eibr + r +i a 2 r + a 2

so that + (r) cq eiqr and (r) cq eiqr 2iei 2 sin

br

Vm q2

2 a2

1 aq aq

eibr 2r a 2r a

2ei 2 cos

br

Vm q2 Vm q2

2 a2

sin

(1.b.22)

2 a2

cos

eibr 4

(1.b.23)

o o

JACOB LEWIS BOURJAILY

2 1 0 -1 -2 0 -0.4 -0.2 -0.2 0 0.2 0.4 0 4 -0.4 0.2 0.4

Figure 2. The rst Brillouin zone dispersion for a tight-binding model on a twodimensional square lattice. Problem 2: Tight-Binding Model on a Square Lattice Consider a tight-binding model on a square, two-dimensional square lattice (lattice spacing a) with on-site energy 0 and nearest-neighbour hopping matrix element t: H=
r

| + |r r ax | + |r r + ay | + |r r ay | 0 |r r| + t |r r + ax

a) We are to obtain the dispersion relation for this model. Just for the sake of clearing up notation, our Bravais lattice here will be generated by a1 = a(1, 0) and a2 = a(0, 1) which has the associated reciprocal lattice generated by b1 = 2a (1, 0) and b2 = 2a (0, 1). We will write all momenta in terms of the reciprocal lattice, so q = q1 b1 + q2 b2 . Using Blochs theorem it is quite easy to see that the Hamiltonian of this system is given by H = 0 + t eiqa1 + eiqa1 + eiq a2 + eiqa2 = +t e
0 i2q1

, ,

(2.a.1) (2.a.2) (2.a.3) (2.a.4)

+e

i2q1

+e

i2q2

+e

i2q2

= 0 + 2t (cos (2q1 ) + cos (2q2 )) ; (q ) = + 2t {cos(2q1 ) + cos(2q2 )} . This dispersion relation is shown in the rst Brillouin zone in Figure 2.
0

b-d) Let us sketch the Fermi surface in the rst Brillouin zone when the band is less than and more than half-full, assuming a particle-like band (t < 0). And we are to make an accurate drawing of the Fermi surface for the case of a precisely half-lled band. When the Fermi surface is very near the bottom of the band energy, then it is approximately a circle: for qi 1, we can expand the cos(2qi )s to see that (q ) 0 + 2t 2tq 2 + O(q 3 ), the solution to which is precisely a circle. As the energy increases, the Fermi surface attens out along the diagonal directions, becoming a square when the band is half-lled. When the band is more than halflled, the square breaks into four disjoint components which encircle the corners of 1 the Brillouin zone. Expanding cos (2qi ) about qi 2 shows that when the band is nearly lled, the Fermi surface components do in fact become circles. These are shown in detail in Figure 3.

# ' # '   PHYSICS : #CONDENSED MATTER HOMEWORK    '

1

0.8

0.6

0.4

0.2

0 0 0.2 0.4 0.6 0.8 1

Figure 3. Several Fermi surfaces observerd for a tight-binding square lattice model. Dark colouring indicates lower energyFermi surfaces are included for the band both more than and less than half lled. The half-lled Fermi surface is the clearly visible s square s   in the s s   plot. # + # ' # '/ + # + # + # ' # '/
 s s   s s    s s   s s 

0.4

0.4

0.4

0.2

0.2

0.2

-0.2

-0.2

-0.2

-0.4

-0.4

-0.4

-0.4

-0.2

0.2

0.4

-0.4

-0.2

0.2

0.4

-0.4

-0.2

0.2

0.4

Figure 4. Fermi surfaces in the tight-binding square-lattice model with t > 0 next-tonearest-neighbour couplings for various values of t /|t|. From left to right: t /|t| = 1/10, t /|t| = 1/2, and t /|t| = 7/10. Notice the sharp transition at t /|t| = 1/2. e-f ) We are to add a matrix element t for hopping between next-to-nearest-neighbour sites and sketch how the Fermi surface of the half-lled band changes for t > 0 and t < 0. It is simple enough to write down the new dispersion relation coming from the the Hamiltonian similar to part (a) above. Following that analysis, we nd H = 0 + 2t cos (2q1 ) + cos (2q2 ) + t eiq(a1 +a2 ) + eiq (a1 a2 ) + eiq (a2 a1 ) + eiq(a1 +a2 ) = 0 + 2t cos (2q1 ) + cos (2q2 ) + t ei2(q1 +q2 ) + ei2(q1 +q2 ) + ei2(q1 q2 ) + ei2(q1 q2 ) = 0 + 2t cos (2q1 ) + cos (2q2 ) + 2t cos (2 (q1 + q2 )) + cos (2 (q1 q2 )) ; (2.f.5) , ,

(q ) = 0 + 2t cos (2q1 ) + cos (2q2 ) + 2t cos (2 (q1 + q2 )) + cos (2 (q1 q2 )) . This modication can have a rather drastic eect on the Fermi surfaceespecially if t /|t| can be as large as around 1 2 . Using equation (2.f.5) we have little diculty plotting Fermi surfaces for various values of t /t. In Figure 4 we show three qualitatively dierent Fermi surfaces for t > 0 for dierent values of t /|t| and in Figure 5 we show these for t < 0.

# + # ' # '/ + JACOB LEWIS BOURJAILY s s   s s 

# + # s  

'

# '/ s 

0.4

0.4

0.4

0.2

0.2

0.2

-0.2

-0.2

-0.2

-0.4

-0.4

-0.4

-0.4

-0.2

0.2

0.4

-0.4

-0.2

0.2

0.4

-0.4

-0.2

0.2

0.4

Figure 5. Fermi surfaces in the tight-binding square-lattice model with t < 0 nextto-nearest-neighbour couplings for various values of t /|t|. From left to right: t /|t| = 1/10, t /|t| = 1/2, and t /|t| = 9/10. Notice the sharp transition at t /|t| = 1/2. Problem 3: Band Structure of Graphene and Nanotubes Recall the honeycomb lattice used to describe graphene in homework 2. We are to consider a tightbinding model with a single level per site on a two-dimensional honeycomb lattice with only nearestneighbour hopping with on-site energy 0 and nearest neighbour hopping matrix element t. a-b) We are to nd the energy bands of this model and determine at what momenta the two bands are degenerate. Just to get our bearings, let us recall the Bravais and reciprocal lattices of the honeycomb lattice: 3 1 R = a1 , a2 with a1 = a 3 (1, 0) and a2 = a 3 , , (3.a.1) 2 2 4 3 1 4 Q = b1 , b2 with b1 = , and b2 = (0, 1) . (3.a.2) 3a 2 2 3a In this model, the wave function on each Bravais cell contains two linearly independent parts, coming from the two atoms in each cell; lets call them atoms A and B . The Hamiltonian of the system can be described by a 2 2 matrix, the diagonal parts coming from the on-site energy 0 and the o-diagonal parts describing the hopping matrix elements. The two o-diagonal entries are Hermitian conjugates of each other: one describe hopping from A B and the other describes hopping from B A. Because the two processes are conjugate, it is sucient to describe one. Let q = q1 b1 + q2 b2 where q1 and q2 are not required to be integers. Although it will be very quickly brushed away, let us say that the vector vAB connects the atom at site A to that at site B . The hopping, or o-diagonal, part of the Hamiltonian is given by4 HAB = teiqvAB 1 + eiqa2 + eiq (a2 a1 ) , (3.a.3) t 1 + ei2q2 + ei2(q2 q1 ) , = t 1 + 2ei(2q2 q1 ) cos (q1 ) . Let us briey observe that if HAB were represented as rei , then the solution to the eigenvalue equation is 0 rei (q ) = 0 t rei 0 =0 = = 0 r. (3.a.6) (3.a.4) (3.a.5)

Using this and the work above, we can directly write down the dispersion relation: 1 + 4 cos ( (2q2 q1 )) cos (q1 ) + 4 cos2 (q1 ). (3.a.7) o o

4The proportionality is used to ignore a phase factor, which will not aect our analysis of energy eigenvalues.

M N r

r

r

s 

PHYSICS : CONDENSED MATTER HOMEWORK

#  '
-0.5 -0.25 0 0.25 0.5

r

M N r

r

r

s 

r

3 0 -1 0.4 -2 0.2 -3 -0.5 -0.25 -0.2 0 0.25 0.5 0 5 -0.4 0

0.5 0.25 0 -0.25 -0.5 -2 0

2 0.4 1 0 -0.5 -0.25 0 0.25 -0.2 0.5 0 5 0 0.2

Figure 6. Energy bands calculated for graphene: the bands are shown separately on the right and left, and shown together in the middle. Notice there are precisely six degeneracies located in the rs Brillouin zone. We see that degeneracy implies that the above discriminant vanishes. This will be the case if 1 ei(2q2 q1 ) cos (q1 ) = . (3.a.8) 2 At rst glance, there are two possibilities we may try: rst, we know that ei(2q2 q1 ) R, so it must be 1. If ei(2q2 q1 ) = 1 then 2q2 q1 = 2n for n Z; the equation above 1 4 requires cos(q1 ) = 2 , which means that q1 = 2 3 or 3 . This gives us an innite class of degenerate solutions, and by adding and subtracting reciprocal lattice vectors, we nd six, essentially equivalent degeneracies at the corners of the rst Brillouin zone: 1 1 1 1 1 2 2 1 2 1 1 2 , , , , , , , (3.a.9) 3 3 3 3 3 3 3 3 3 3 3 3 where the components refer to the values of q1 , q2 in q = q1 b1 + q2 b2 . Now, because adding and subtracting lattice vectors brought us into the other condition for degeneracywith 2q2 q1 an odd integerwe know that all of the degeneracies have been accounted for. The energy bands are plotted in Figure 6, where the six degenerate points are clearly visible.

c-d) Describe and sketch the topology for various Fermi surfaces that can occur as the lling of bands is varied. We should also describe the Fermi surface when the lower band is completely lled. For very low F , the fermi surface is a circle inscribed within the bowl seen in Figure 6. As the energy increases, the Fermi surface appears more and more hexagonal until nally it breaks into six arcsone about each of the corners of the rst Brillouin zone. These six regions shrink as F 0 , when they vanish. This is shown in Figure 7. As F grows above 0 , the Fermi surface lies on the upper band and progresses in reverse of the lower-band: for low energies above 0 , the Fermi surface is composed of six distinct circular components which grow until they become nearly hexagonal; at high energies, the Fermi surface again approaches a single circular section. This progression is also shown in Figure 7. In the case when the lower band is completely full, the Fermi surface is the union of the six distinct Dirac points (of course, only two of them are inequivalent).

10

JACOB LEWIS BOURJAILY  

M N

r

r

] ^

0.4

0.4

0.2

0.2

-0.2

-0.2

-0.4

-0.4

-0.6

-0.4

-0.2

0.2

0.4

0.6

-0.6

-0.4

-0.2

0.2

0.4

0.6

Figure 7. Contours indicating the Fermi surfaces for various F in the lower (left) and upper (right) bands for the graphene tight-binding model. In both plots the energy is lower in the darker regionregions in white on the left plot match to the regions in black on the right plot. e) If we were to compactify a sheet of graphene in one direction, the result would be a carbon nanotube. Depending on which Bravais lattice vector is taken as the compactifying direction, there may or may not be a band gapif there is a gap, then the nanotube is an insulator; if the two bands are degenerate, then the tube is metallic. We are to determine which types of carbon nanotubes will be metallic and which would be insulating. The compactication of graphene into a carbon nanotube can be described as taking a quotient of the Bravais lattice by one of the lattice vectors, written R/r where r = r1 a1 + r2 a2 where in this case r1 , r2 Z. That is to say, travelling in the direction r brings you around the nanotube and back to where you started: the atoms at sites related by R + r are not merely related to those at R, but are actually the same atoms. This means that there is no phase factor for travelling any multiple of times along r . Precisely, this requires that eiq r = 1 q. (3.e.10) This places a strong constraint on the allowed q sindeed, it breaks our continuous band of allowed values to a discrete set. Whether or not the nanotube will be a metal or an insulator is completely determined by whether or not this discrete subset of allowed momenta include the Dirac points explored above. The condition eiqr = ei2(q1 r1 +q2 r2 ) = 1 is that Recall that the six Dirac points were located at q with components (with respect to b1 , b2 basis) given in equation (3.a.9). There are two types of points to check: the rst two Dirac points listed in equation (3.a.9) will be present in the nanotube i r1 r2 Z = (r1 r2 ) 3Z; (3.e.12) 3 3 the second type of point will be present in the nanotube i r1 2r2 + Z = (r1 + 2r2 ) 3Z. (3.e.13) 3 3 It is not hard to show that these two conditions are in fact equivalent5. Therefore, a carbon nanotube will be a metal in this model only if r1 r2 = 3 for some Z. (3.e.14) o

q1 r1 + q2 r2 Z.

(3.e.11)

5Say r r = 3, then r + 2r = 3 + r + 2r = 3( + r ) 3Z; and conversely, say r + 2r = 3m, then 1 2 1 2 2 2 2 1 2

r1 r2 = 3m 2r2 r2 = 3(m r2 ) 3Z. QED

PHYSICS : CONDENSED MATTER HOMEWORK

11

Problem 4: Thermodynamics Near a Dirac Point Let us return our attention to the tight-binding model of graphene from problem 3. We may for the sake of convenience take 0 = 0. a) The points where two bands become degenerate are called Dirac points. We are to determine the low-temperature behaviour of the specic heat and magnetic spin susceptibility near the Dirac point for graphene. The rst step in our analysis will be to expand the dispersion relation (3.a.7) found in problem 3 above near the Dirac points. Now, because the six Dirac points are obviously translationally related, it is sucient to consider just one for the moment. Let us expand equation (3.a.7) about the Dirac point (1/3, 1/3)6: 3q q q = t 1 + 4 cos + + + cos + 4 cos2 3 3 2 3 2 3 2 1 1 3 2 q 2 9 2 q 2 + ... q + ... = t 1 + 4 1 + 4 2 2 2 8 = t 1 + 2 1 + 9 q + ... 4
2 2 1/2

, 1 1 2 2 3 q q + ... 2 8
2 2 2 2 2 1/2

+4

3 q q + ... 2 4

3 q q + ... 2 4

2 1/2

9 2 q 2 = t 1 + 2 1 + + ... 4 = t 1 + 2 1 + = t 6 2 q 2 + . . .

2 q 2 3 q + ... 2 4 +12

+12

2 q 2 3 2 q 2 3 q + + ... 2 2 2
1/2

1/2

3 2 q 2 9 2 q 2 q + + + ... 2 4 4
1/2

3 2 q 2 3 2 q 2 q + + ... 2 2 2

; t 6q. (4.a.1)

This allows us to compute the density of states about a single Dirac point is given by g () = 2 d2 q (2) (0 6q d), 2 (2 ) d q d ; = t 2 6 = 6 t2 3

gone

Dirac point ()

gtot () =

t2 3

(4.a.2)

With the density of states, we may compute the total energy7, u = u0 +

0

d g ()f (), 1 t2 3
0

= u0 + = u0 +

2 d +1

e/(kB T )

3 (3) 3 3 k T + O(T 4 ), 2 t2 3 B

where (n) is the Riemann zeta function. Therefore, we see that cv =

q 6We will expand in so that |q | = q . 2 7Using Mathematica for the integrals.

3 9 (3)kB T 2 + O(T 3 ). 2 3 2t

(4.a.3)

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JACOB LEWIS BOURJAILY

To nd the magnetic susceptibility we will begin by referring to the textbook or class notes wherein it is found that the total magnetization (in the Pauli model) is given by M = 2 H d g ()f (). Evaluating this integral directly, we see M kB T log(2) = = 2 + O(T 2 ). H t2 3 (4.a.4)

(4.a.5)

b) Consider doping graphene so that F is just above the Dirac point, but by an amount much less that of T ; we are to again describe the low-temperature approximations of the specic heat and magnetic spin susceptibility. I am pretty sure that the picture we are supposed to envision is that we are some F separated from the Dirac point, yet close enough to it that g () can be still viewed as a linear function of . If this is the appropriate, then we can take F 1 , g () = 2 3 and f () = ( )/(k T ) B f t e +1 and integrate above the Fermi surface8. Using a computer algebra package, we nd 1 ( F ) d u = u0 + 2 3 , t F e(F )/(kB T ) + 1
2 3 F kB 3 (3)kB 2 T + T 3 + O(T 4 ). 12t2 2 t2 3 (It is comforting that this reproduces our earlier result for vanishing F .) This allows us to directly conclude that

3 2 F kB 9 (3)kB T+ T 2 + O(T 3 ). 2 2 3 6t 2t Now, to nd the magnetic susceptibility, we perform the same steps as before and see 1 F M = 2 H d g ()f () = 2 H 2 3 kB T log(2) + , t 2 and so 1 eF = 2 2 3 kB T log(2) + . t 2

cv =

(4.b.1)

(4.b.2) (4.b.3)

8There are alternative ways of looking at this.