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Michael S. Fuhrer Department of Physics and Center For Nanophysics and Advanced Materials University of Maryland

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Michael S.

Fuhrer University of Maryland


An Introduction to Graphene Electronic Structure
Michael S. Fuhrer
Department of Physics and
Center for Nanophysics and Advanced Materials
University of Maryland
Michael S. Fuhrer University of Maryland
If you re-use any material in this
presentation, please credit:
Michael S. Fuhrer, University of
Maryland
Michael S. Fuhrer University of Maryland
Carbon and Graphene
C
-
-
-
-
Carbon Graphene
4 valence electrons
1 p
z
orbital
3 sp
2
orbitals
Hexagonal lattice;
1 p
z
orbital at each site
Michael S. Fuhrer University of Maryland
Graphene Unit Cell
Two identical atoms in unit cell:
A B
Two representations of unit cell:
1/3 each of 6 atoms = 2 atoms
Two atoms
Michael S. Fuhrer University of Maryland
Band Structure of Graphene
Tight-binding model: P. R. Wallace, (1947)
(nearest neighbor overlap =
0
)
|
|
.
|

\
|
+
|
|
.
|

\
|
|
|
.
|

\
|
+ =
2
cos 4
2
cos
2
3
cos 4 1 ) (
2
0
a k a k
a k
E E
y y
x
F
k
k
x

k
y

E
Michael S. Fuhrer University of Maryland
Bloch states:
A
B
A
B
|
|
.
|

\
|
0
1
|
|
.
|

\
|
1
0
F
A
(r), or
F
B
(r), or
anti-bonding
E = +
0

bonding
E = -
0

|
|
.
|

\
|
1
1
2
1
|
|
.
|

\
|
1
1
2
1
point:
k = 0
Band Structure of Graphene point (k = 0)
Michael S. Fuhrer University of Maryland
3
4
3
2
1
t
t
i
i
e
e

K
K
K
|
|
.
|

\
|
0
1
F
A
(r), or |
|
.
|

\
|
1
0
F
B
(r), or
Phase:
K
2
3a
=
a 3
4t
= K
Band Structure of Graphene K point
Michael S. Fuhrer University of Maryland
|
|
.
|

\
|
0
1
F
A
(r), or
|
|
.
|

\
|
1
0
F
B
(r), or
K
2
3a
=
a 3
4t
= K
0
/3
2/3

5/3
4/3
anti-bonding


E = 0!
bonding


E = 0!
|
|
.
|

\
|
1
1
2
1
|
|
.
|

\
|
1
1
2
1
K point:
Bonding and anti-bonding
are degenerate!
Bonding is Frustrated at K point
Michael S. Fuhrer University of Maryland
) ( ) ( ) ( r r v
F
F F k c =
k v b
e
ibe
e k
F
i
i
i
k
k
=
|
|
.
|

\
|

c
u
u
;
2
1
2 /
2 /
r k

k
is angle k makes with y-axis
b = 1 for electrons, -1 for holes
Eigenvectors: Energy:
Hamiltonian:
|
|
.
|

\
|
=
|
|
.
|

\
|
|
|
.
|

\
|
+

) (
) (
) (
) (
0
0
r F
r F
r F
r F
ik k
ik k
v
B
A
B
A
y x
y x
F
c
electron has pseudospin
points parallel (anti-parallel) to momentum
K
K
linear dispersion relation
massless electrons
Band Structure of Graphene: kp approximation
Michael S. Fuhrer University of Maryland
Visualizing the Pseudospin
0
/3
2/3

5/3
4/3
Michael S. Fuhrer University of Maryland
30 degrees
390 degrees
Visualizing the Pseudospin
0
/3
2/3

5/3
4/3
Michael S. Fuhrer University of Maryland
Pseudospin
K
K
k v H
ik k
ik k
v k v H
t
F K
y x
y x
F F K

=
|
|
.
|

\
|
+

= =
o
o
'
0
0
|| k
|| -k
Hamiltonian corresponds to spin-1/2 pseudospin
Parallel to momentum (K) or anti-parallel to momentum (K)

Orbits in k-space have Berrys phase of
Michael S. Fuhrer University of Maryland
K K
K: k||-x K: k||x K: k||-x
real-space
wavefunctions
(color denotes
phase)
k-space
representation
bonding
orbitals
bonding
orbitals
anti-bonding
orbitals
Pseudospin: Absence of Backscattering
bonding
anti-bonding
Michael S. Fuhrer University of Maryland
Pseudospin: Berrys Phase in IQHE
Berrys phase for electron orbits
results in -integer quantized Hall
effect
|
.
|

\
|
+ = =
2
1
4
2
n
h
e
xy
v v o
4 2 2 = =
v s
g g
Berrys phase =
-80 -60 -40 -20 0 20 40 60 80
0
5
10
-30
-26
-22
-18
-14
-10
-6
-2
2
6
10
14
18
22
26
30
B = 8 T
T = 2.3 K

o
x
y

(
e
2
/
h
)
o
x
x

(
e
2
/
h
)
V
g
(V)

Michael S. Fuhrer University of Maryland
Graphene: Single layer vs. Bilayer
Bilayer Graphene Single layer Graphene
5.2
4.3
w m
l m

=
=
6.0
2.6
w m
l m

=
=
Single Layer vs. Bilayer
Michael S. Fuhrer University of Maryland
Graphene Dispersion Relation:
Light-like
k
y

k
x

E
Light: ck E = = e
Electrons in graphene:
k v E
F
=
Fermi velocity v
F
instead of c
v
F
= 1x10
6
m/s ~ c/300
Bilayer Dispersion Relation:
Massive
k
y

k
x

E
Massive particles:
e
m
k
E
2
2 2

=
Electrons in bilayer graphene:
Effective mass m* instead of m
e

m* = 0.033m
e

* 2
2 2
m
k
E

=
Michael S. Fuhrer University of Maryland
-40 -30 -20 -10 0 10 20 30 40
0.00
0.05
0.10
0.15
0.20
0.25

QHE single layer at T=1.34K B=9T
o
x
x
(
k
O
-
1
)
V
g
-V
Dirac
(V)
-10
-6
-2
2
6
10
o
x
y
(
e
2
/
h
)
Quantum Hall Effect: Single Layer vs. Bilayer
-30 -20 -10 0 10 20 30
0.00
0.05
0.10
0.15
0.20
0.25
0.30

o
x
y
(
e
2
/
h
)
o
x
x
(
k
O
-
1
)
V
g
-V
Dirac
(V)
-8
-4
0
4
8
bilayer QHE at T=1.35K, B=9T
See also: Zhang et al, 2005, Novoselov et al, 2005.
|
.
|

\
|
+ = =
2
1
4
2
n
h
e
xy
v v o
Berrys phase =
Single layer:
( ) 1 4
2
+ = = n
h
e
xy
v v o
Berrys phase = 2
Bilayer:
Quantum Hall Effect

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