McCann Graphite

Graphite monolayers
Edward McCann
Lancaster University, UK
with
S. Bailey, K. Kechedzhi, V.I. Fal’ko,
H. Suzuura, T. Ando,
B.L. Altshuler
Graphite
Three dimensional layered material

with hexagonal 2D layers [shown here
with Bernal (AB) stacking]
Graphite Monolayer
Two dimensional material;

zero gap semiconductor;
Dirac spectrum of electrons
Three dimensional layered

material with hexagonal 2D
layers [shown here with
Bernal (AB) stacking]
Graphite Monolayer

Dirac spectrum of electrons
Bilayer

Bilayer as a 2D material
Low energy Hamiltonian= ?
Graphite Bilayer Monolayer

Two dimensional material; Dirac spectrum of electrons
Low energy Hamiltonian?
Fabricated two years ago by Manchester group,

Three dimensional layered Novoselov et al, Science 306, 666 (2004).
Further reports of quantum Hall effect measurements;
Manchester group: Novoselov et al, Nature 438, 197 (2005)
Columbia group: Zhang et al, Nature 438, 201 (2005).
Graphite Bilayer Monolayer

Two dimensional material; Dirac spectrum of electrons
Low energy Hamiltonian?
Lecture Overview
1) Tight binding model of monolayer graphene
2) Expansion near the K points: chiral quasiparticles
and Berry phase
3) Bilayer graphene
4) Quantum Hall effect

1 Tight binding model of monolayer graphene
“Physical Properties of
Carbon Nanotubes”
R Saito, G Dresselhaus and
MS Dresselhaus;
Imperial College Press, 1998
1.1 sp2 hybridisation
Carbon has 6 electrons
- 2 are core electrons
- 4 are valence electrons – one 2s and three 2p orbitals
sp2 hybridisation
- single 2s and two 2p orbitals hybridise forming three “s
bonds” in the x-y plane
sp2 hybridisation
- remaining 2pz orbital [“p” orbital] exists perpendicular to
the x-y plane
only p orbital relevant for energies of interest for transport

measurements – so keep only this one orbital per site in the
tight binding model
1.2 lattice of graphene
2 different ways of
orienting bonds means
there are 2 different types
of atomic sites
[but chemically the same]
1.2 lattice of graphene
2 different atomic sites – 2 triangular sub-lattices

1.3 reciprocal lattice
triangular reciprocal lattice
– hexagonal Brillouin zone

1.4 Bloch functions
We take into account one p orbital per site, so there

are two orbitals per unit cell.
 
 
 

N  
1
Bloch functions A k,r 
N
e

RA
ik . R A
 A r  RA
 
 
 

N  
1
B k , r 
N
e

RB
ik . RB
 B r  RB
sum over all type atomic

B atomic sites wavefunction
in N unit cells
1.4 Bloch functions
We take into account one p orbital per site, so there

are two orbitals per unit cell.
Bloch functions : label with j = 1 [A sites] or 2 [B sites]
 
 
  

N  
1
 j k,r  e  j r  Rj
ik . R j

N Rj
sum over all type atomic

j atomic sites wavefunction
in N unit cells
1.5 Secular equation
Eigenfunction j (for j = 1 or 2) is written as a linear
combination of Bloch functions:
 
 
  
  
2
 j k , r   C jj ' k  j ' k , r
j '1
Eigenvalue Ej (for j = 1 or 2) is written as :

j H j


Ej k 
j j
Eigenfunction j (for j = 1 or 2) is written as a linear
combination of Bloch functions:
 
    
  
2
 j k , r   C jj ' k  j ' k , r
j '1
Eigenvalue Ej (for j = 1 or 2) is written as :

j H j


Ej k 
j j
2 2
C *
C jl  i H  l H C *ji C jl


substitute ji il
expression in terms Ej k  i ,l
2
 i ,l
2
of Bloch functions C i ,l
*
ji C jl  i  l S C
i ,l
il
*
ji C jl
defining transfer H   H  ; and overlap Sil  i l

il i l
integral matrix integral matrix
elements elements
1.5 Secular equation 2
H C *
C jl

 il ji
Ej k  i ,l
2
 il ji C jl
S
i ,l
C *
1.5 Secular equation 2
H C *
C jl


il ji
Ej k  i ,l
2
 il ji C jl
S
i ,l
C *
If the H il and S il are known, we can find the energy by minimising

with respect to C *jm :
2 2 2
E j H ml C jl H C il
*
ji C jl  S ml C jl
 l
 i ,l l
C *jm 2
 2 
2
S C il
*
ji C jl   Sil C *ji C jl 
i ,l
 i ,l 
E j 2 2
C *
0  H
l 1
ml C jl  E j  S ml C jl
l 1
jm
2 2
H
l 1
l 1
2 2
H
l 1
l 1
Explicitly write out sums:

m  1  H11C j1  H12C j 2  E j S11C1l  S12C2l 
m  2  H 21C j1  H 22C j 2  E j S 21C1l  S 22C2l 
2 2
H
l 1
l 1

m  1  H11C j1  H12C j 2  E j S11C1l  S12C2l 
m  2  H 21C j1  H 22C j 2  E j S 21C1l  S 22C2l 
Write as a matrix equation:

 H11 H12  C j1  S S12  C j1 
    E j  11  
 H 21 H 22  C j 2   S 21 S 22  j 2 
C
HC j  E j SC j
2 2
H
l 1
l 1

m  1  H11C j1  H12C j 2  E j S11C j1  S12C j 2 
m  2  H 21C j1  H 22C j 2  E j S 21C j1  S 22C j 2 
Write as a matrix equation:

 H11 H12  C j1  S S12  C j1 
    E j  11  
 H 21 H 22  C j 2   S 21 S 22  j 2 
C
HC j  E j SC j
Secular equation gives the eigenvalues:
det H  ES   0
1.6 Calculation of transfer and overlap integrals
 
 
  

N  
1
H ij   i H  j ; Sij   i  j  j k,r  e  j r  Rj
ik . R j

N Rj
 
 
  

N  
1
ik . R j

N Rj
Diagonal matrix element

1 N N ik.R Aj  R Ai 
H AA   A H  A  
N R Ai R Aj
e   
  
 A r  RAi H  A r  RAj 
Same site only:
1 N
H AA   
N RAi

 
 
 
 A r  RAi H  A r  RAi 

 
 
 
  A r  RAi H  A r  RAi 
 0
 
 
  

N  
1
ik . R j

N Rj

1 N N ik.R Aj  R Ai 
H AA   A H  A  
N R Ai R Aj
e  
  
 A r  RAi H  A r  RAj 
Same site only:
1 N
H AA   
N RAi
 
   

 A r  RAi H  A r  RAi 

 
 

  A r  RAi H  A r  RAi 
 0
A and B sites are chemically identical:
H AA  H BB   0
 
 
  

N  
1
ik . R j

N Rj

1 N N ik.R Aj  R Ai 
H AA   A H  A  
N R Ai R Aj
e  
  
 A r  RAi H  A r  RAj  
Same site only:
    
   
  
N
    1
1 N
H AA   
 A r  RAi H  A r  RAi S AA 
N


 A r  RAi  A r  RAi
N RAi R Ai

 
 

  A r  RAi H  A r  RAi  
   
 
  A r  RAi  A r  RAi 
 0 1
A and B sites are chemically identical:
H AA  H BB   0 S AA  S BB  1
Off-diagonal matrix element
 
  
  

N N   
1
 e
ik . RBj  R Ai
H AB   A H  B   
 A r  RAi H  B r  RBj
N R Ai RBj
 
  
  

N N   
1
 e
ik . RBj  R Ai
H AB   A H  B   
N R Ai RBj
Every A site has 3 B nearest neighbours:

  a   a a 
1  RB1  RAi   0,  ;  2  RB 2  RAi   , ;
 3  2 2 3
  a a 
 3  RB 3  RAi    , 
 2 2 3 
 
 
 
 

N N   
1
 e
ik . RBj  R Ai
H AB   A H  B   
N R Ai RBj

  a   a a 
1  RB1  RAi   0,  ;  2  RB 2  RAi   , ;
 3  2 2 3
  a a 
 3  RB 3  RAi    , 
 2 2 3 
1 N  3 ik. j  3 ik. j
H AB  

N RAi  j 1
e   
  

 A r  RAi H  B r  RBj  
e   
 
 
 A r  RAi H  B r  RBj 
  j 1
 
  
 
 

N N   
1
 e
ik . RBj  R Ai
H AB   A H  B   
N R Ai RBj

  a   a a 
1  RB1  RAi   0,  ;  2  RB 2  RAi   , ;
 3  2 2 3
  a a 
 3  RB 3  RAi    , 
 2 2 3 
1 N  3 ik. j  3 ik. j
H AB 

N RAi  j 1
e   
  

 A r  RAi H  B r  RBj
 e
 
  
 A r  RAi H  B r  RBj    
  j 1
Parameterise nearest neighbour transfer integral:

 
   

 0    A r  RAi H  B r  RBj
f k ; f k    e
  3  
ik . j
 H AB   0 
 j 1
 
  
  
 
N N   
1
 e
ik . RBj  R Ai
H AB   A H  B   
N R Ai RBj

  a   a a 
1  RB1  RAi   0,  ;  2  RB 2  RAi   , ;
 3  2 2 3
  a a 
 3  RB 3  RAi    , 
 2 2 3 
1 N  3 ik. j  3 ik. j
H AB  

N RAi  j 1
e  
  
 A r  RAi H  B r  RBj  
e     

 A r  RAi H  B r  RBj   
  j 1
Parameterise nearest neighbour transfer integral:

 
   
 0    A r  RAi H  B r  RBj     
s   A r  RAi  B r  RBj    


  

3  
f k 
ik . j
 H AB   0 f k ; 
e  S AB  s f k
 j 1
  a   a a 
1  RB1  RAi   0,  ;  2  RB 2  RAi   , ;
 3  2 2 3
  a a 
 3  RB 3  RAi    , 
 2 2 3


 
3  
f k 
ik . j ik y a / 2 3
  2e
ik y a / 3 kxa

e e cos 2
 j 1
1.7 Calculation of energy
 0
H  


0 f k  
; S   1   
sf k


0 f k
*

 0   
 sf * k 1 

 0
H  

0 f k   
; S   1  sf k

 
0 f k
*

  0   sf * k
  1 


det H  ES   0

det 
0  E  
  0  Es  f k 
 0

   0  Es  f k
*

0  E 

  2
E   0    0  Es  f k  0
2 2
 0
H  

0 f k   
; S   1  sf k

 
0 f k
*

  0   sf * k
  1 


det H  ES   0

det 
0  E  
  0  Es  f k 
 0

   0  Es  f k
*

0  E 

  2
E   0    0  Es  f k  0
2 2
0   0 f k


E
1 s f k


0   0 f k

 Typical parameter values [quoted in Saito et al]:
E
1 s f k

  0  0 ,  0  3.033eV , s  0.129


f k e y
ik a / 3
 2e
 ik y a / 2 3
cos  
kxa
2
2 Expansion near the K points
2.1 Exactly at the K point
  a  
1   0, ;  K .1  0
 3
  4p   a
 2   ,
a   2p
 ;  K . 2 
K  ,0  2 2 3 3
 3a    a a   2p
 3    ,  ;  K . 3  
 2 2 3 3
 
 3  
f K 
iK . j 2pi / 3  2pi / 3

e  e 0
 e  e 0
 j 1
At the corners of the Brillouin zone (K points),

electron states on the A and B sub-lattices
decouple and have exactly the same energy
K points also referred to as “valleys”

Show 3d band structure
2.1 Exactly at the K point
6 corners of the Brillouin zone (K points),

but only two are non-equivalent
We consider two K points with the

K K’ following wave vectors:
b1
  4p    4p 
K  ,0  ; K '    ,0 
b2  3a   3a 
K K’
2.2 Linear expansion
Consider two non-equivalent K points:
   4p 
K, K'  ,0  ;   1
 3a 
p and small momentum near them:

  4p  p
k   ,0  
 3a  
Consider two non-equivalent K points:
   4p 
K, K'  ,0  ;   1
 3a 
p and small momentum near them:

  4p  p
k   ,0  
 3a  
Linear expansion in small momentum: 


f k 
3a
2
px  ip y   O pa /  2

H  
0


0 f k  
  v
0 p x  ip y 

0 f k
*

 0   p x  ip y 0 

 1
S   * 
sf k

    1
0
 
 spa 
  3a 0

 sf k 1  0 1
  
O
  
v
2
 106 m / s

H  
0


0 f k  
  v
0 p x  ip y 

0 f k
*

 0   p x  ip y 0 

 1
S   * 
sf k

    1
0
 
 spa 
 
3a 0

 sf k 1  0 1
  
O
  
v
2
 106 m / s
New notation for  C j1   A 

components on A 
Cj        

and B sites C j2   B 
 0 px  ip y  A   
1
S HC j  E j C j 
 v    E  A 

 p x  ip y 0  B   B 
2.3 Dirac-like equation
For one K point (e.g. =+1) we have a 2 component wave function,
 
   A 
 B 
with the following effective Hamiltonian:
 0 p x  ip y   0 p  
  vs x px  s y p y   vs . p
 
H  v   v
 p x  ip y 0   p 0 
Bloch function amplitudes on

the AB sites (‘pseudospin’)
mimic spin components of
a relativistic Dirac fermion.
To take into account both K points (=+1 and =-1) we can use a 4
component wave function,
 AK 
 
 
   BK 

 AK ' 
 
 BK ' 
with the following effective Hamiltonian:
 0 p x  ip y 0 0 
 
 p x  ip y 0 0 0 
H  v
0 0 0  p x  ip y 
 
 0 0  p x  ip y 0 
 
Helical electrons
0 p  
   
H  v   vs  p  vp s  n
pseudospin direction
 is linked to an axis
p 0  determined by
electronic momentum.
E  vp  for conduction band

p
 electrons,
s n 1
py px
 
 s  n  1
p valence band (‘holes’)
Show 3D picture
2.4 Absence of backscattering
0 p  0 e i   e  i / 2


H  v 
  vp i ; E  vp      2  i / 2 
1 
p 0  e 0  e 
2.4 Absence of backscattering
0 p  0 e i   e  i / 2


H  v 
  vp i ; E  vp      2  i / 2 
1 
p 0  e 0  e 
angular scattering probability:
      0  cos 2  / 2
2
=0 under pseudospin conservation,

helicity suppresses
backscattering in a monolayer
 Klein paradox
 Show angular dependence
2.5 Berry’s phase p
Show Dirac belt
Show definition of Berry phase
Monolayer graphene
0 p  0 e  i 
H  v   vp i
 e
;
 p 0   0 
 e  i / 2

E  vp      2  i / 2 
1 
e 
massless Dirac fermions

with Berry’s phase p
3. Bilayer graphene [Bernal (AB) stacking]
p  px  ip y
3 Bilayer graphene
Berry phase 2p quasiparticles
H 
1  0 p     p
 2  0
2
 2 i
e 2i 
; E
p2 
1 
e  i
     2  i 

2m  p 2 0  2m  e 0  2m e 
3 Bilayer graphene
Berry phase 2p quasiparticles
H 
1  0 p     p
 2  0
2
 2 i
e 2i 
; E
p2 
1 
e  i
     2  i 

2m  p 2 0  2m  e 0  2m e 
No absence of backscattering
angular scattering probability:
      0  cos 2  
2
=0
no suppression of
backscattering in a bilayer
Some topics in graphene physics
1) Integer Quantum Hall effect

unusual sequencing of Hall conductivity plateaus
2) Minimal conductivity
see talks this afternoon: Jakub Tworzdlo; Jozsef Cserti
3) Tunnelling of chiral quasiparticles

MI Katsnelson, KS Novoselov, and AK Geim, cond-mat/0604343;
VV Cheianov and VI Falko, PRB 74, 041403
4) Weak localisation (?)

H Suzuura and T Ando, PRL 89, 266603 (2002); SV Morozov et al,
PRL 97, 016801 (2006); DV Khveshchenko; AF Morpurgo and F
Guinea; E McCann et al [all cond-mat 2006]
5) Andreev reflection
see talk this afternoon: Carlo Beenakker
Integer Quantum Hall effect
in a 2d semiconductor
Each filled Landau level

with additional degeneracy
g contributes conductance
quantum ge2/h towards the
Hall conductivity
3 Integer quantum Hall effect
Graphene monolayer
Monolayer
Quantum
Hall effect:
4e2/h steps
Novoselov et al, Nature 438, 197 (2005);

Zhang et al, Nature 438, 201 (2005).
Landau levels and QHE
   
p  i  c A, rotA  Bl z
e
p  px  ip y ; p   px  ip y
Show super-symmetry
Get HO and take sqrt.
Check Ezawa
Check McLure
2D Landau levels
  
of chiral electrons
J=1 monolayer
J=2 bilayer
0   J 1 
p 0  ...  p  J 1  0
J J
 ,...,      0
0  0  valley
index
 0
 p 
 J  A
 ~


p J 0  B 
  J  B
  
~
also, two-fold real  0  p  
  p J 0  A  
spin degeneracy

 4-fold degenerate zero-energy
Landau level for electrons
with Berry’s phase p
J.McClure, Phys. Rev. 104, 666 (1956)
F.Haldane, PRL 61, 2015 (1988)
Y.Zheng and T.Ando,
Phys. Rev. B 65, 245420 (2002)
V.P. Gusynin and S.G. Sharapov,
Phys. Rev. Lett 95, 146801 (2005)
N.M.R. Peres, F. Guinea and A.H. Castro Neto,
PRB 73, 125411 (2006)

8-fold degenerate zero-energy
Landau level for electrons
with Berry’s phase 2p
E.McCann and V.I. Fal’ko,
Phys. Rev. Lett. 96, 086805 (2006)
QHE in graphene
monolayer bilayer
4 a 4
c
3 3
2 2
sxy (4e2/h)
sxy (4e2/h)
1 1
0 0
-1 -1
-2 -2
-3 -3
-4 -4
E 1L graphene E 2L graphene
6 6
xx (k)
xx (k)
4 p 4 p
2 2
b d
0 0
-4 -2 0 2 4 -4 -2 0 2 4
n (1012 cm-2) n (1012 cm-2)
Unconventional Quantum Hall Effect and Berry’s Phase of 2π in Bilayer Graphene

K.Novoselov, E.McCann, S.Morozov, V.Fal’ko, M.Katsnelson, U.Zeitler, D.Jiang, F.Schedin, A.Geim
Nature Physics 2, 177-180 (2006)


Summary
Graphene monolayer – 2D electron system

with Berry phase π quasiparticles and 4 times degenerate
zero-energy Landau levels manifested in the quantum Hall effect.
Graphene bilayer – 2D electron system

with Berry phase 2π quasiparticles and 8 times degenerate
zero-energy Landau levels manifested in the quantum Hall effect.
The End

McCann Graphite

Caricato da

Informazioni sul documento

Copyright

Formati disponibili

Condividi questo documento

Condividi o incorpora il documento

Opzioni di condivisione

Hai trovato utile questo documento?

Questo contenuto è inappropriato?

Copyright:

Formati disponibili

McCann Graphite

Caricato da

Copyright:

Formati disponibili

Graphite monolayers

Three dimensional layered material

Two dimensional material;

Three dimensional layered

Two dimensional material;

Three dimensional layered

Two dimensional material;

Fabricated two years ago by Manchester group,

Two dimensional material;

4) Quantum Hall effect

only p orbital relevant for energies of interest for transport

2 different atomic sites – 2 triangular sub-lattices

triangular reciprocal lattice

– hexagonal Brillouin zone

We take into account one p orbital per site, so there

sum over all type atomic

We take into account one p orbital per site, so there

Bloch functions : label with j = 1 [A sites] or 2 [B sites]

sum over all type atomic

Eigenvalue Ej (for j = 1 or 2) is written as :

Eigenvalue Ej (for j = 1 or 2) is written as :

defining transfer H   H  ; and overlap Sil  i l

If the H il and S il are known, we can find the energy by minimising

Explicitly write out sums:

Explicitly write out sums:

Write as a matrix equation:

Explicitly write out sums:

Write as a matrix equation:

Diagonal matrix element

Diagonal matrix element

Diagonal matrix element

A and B sites are chemically identical:

Every A site has 3 B nearest neighbours:

Every A site has 3 B nearest neighbours:

Every A site has 3 B nearest neighbours:

Every A site has 3 B nearest neighbours:

Secular equation gives the eigenvalues:

Secular equation gives the eigenvalues:

At the corners of the Brillouin zone (K points),

K points also referred to as “valleys”

6 corners of the Brillouin zone (K points),

We consider two K points with the

Linear expansion in small momentum: 

New notation for  C j1   A 

Bloch function amplitudes on

E  vp  for conduction band

angular scattering probability:

=0 under pseudospin conservation,

massless Dirac fermions

1) Integer Quantum Hall effect

3) Tunnelling of chiral quasiparticles

4) Weak localisation (?)

Each filled Landau level

Novoselov et al, Nature 438, 197 (2005);

Unconventional Quantum Hall Effect and Berry’s Phase of 2π in Bilayer Graphene

Graphene monolayer – 2D electron system

Graphene bilayer – 2D electron system

Potrebbero piacerti anche