WS 2011/2012 Nanosystems I

Chapter 01
Band Structure

Eric Hoffmann
WSI, S313
Tel.: 289 11553
eric.hoffmann@wsi.tum.de

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 Bulk materials

z
y

Electrons in a three-dimensional bulk solid can be

modeled as an infinite crystal along all three dimensions
x, y, and z. The assumption of periodic boundary
conditions yields standing waves as solutions for the
Schrdinger equation for free electrons.

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 Free Electron Model

Assumption of free electron model:

Two types of electrons in a metal:

core electrons tightly bound to the nucleus
valence electrons, outermost electrons,
which are free to move throughout the crystal

Independent electron approximation:

e- do not interact with each other

Free electron approximation:

e- do not interact with positive ions of lattice

Sommerfeld free electron approximation:

e- obey Fermi Dirac statistics

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 The Free Electron Model

Electrons obey Schrdinger wave equation (particle in a box)

De Broglie:

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 Boundary conditions

Use periodic boundary conditions

The allowed states satisfy:

Leads to k quantization

In 1 dimension

L
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 Allowed values of k per unit k-space

k-space volume
Each k-state occupies a volume in k-space of:

k-space density (1/volume)

In 3D:

In 2 dimensions (square lattice)

ky L

Number of k-states in this region

kx

Dots of allowed states in k-space are very close

together, so we approximate by a continuum .

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 The electronic density of states

The electronic density of states, D(E) = dN/dE, is the number of k-states

within the energy range [E, E + dE] and per unit volume.

Strategy: Find D(k) = dN/dK within [k, k + dk] and transform to D(E).

Example: 2D

ky

Only first
order in dk
kx

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 The electronic density of states

Transform form D(k) to D(E):

spin and valley degeneracy

(see page 4)

In 2 dimensions:

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 The electronic density of states

Mathematical summary

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 The road to the nanoscale

Graphical summary
3D 2D 1D 0D
Density of states

Energy
constant discrete
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 Outline

Free electron model

Density of states

Crystal structure
Nearly free electrons
Band diagrams
Band gaps
2D Heterostructures

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 Crystal structure

5 fundamental 2D (Bravais) lattices

Bravais lattice (1850)

Aguste Bravais

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 14 Fundamental 3D Bravais Lattices

Total: 14
1

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 Important semiconductor crystal structures

Diamond (C, Si, Ge) Zincblende (GaAs)

Wurtzite (GaN)

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 Example Lattices

Diamond
Face centered cubic (fcc)
Examples: C, Si, Ge

Zincblende
Binary face centered cubic (fcc)
Examples: ZnS, ZnSe, GaAs, GaP,
CdS, CdSe, InAs, InSb, CuF, CuCl,
AgI, SrC, AlP

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 Example Lattices

Wurtzite A
A
Binary Hexagonal
B
B
Examples: AgI, ZnO, CdS, A
CdSe, GaN, AlN, BN A
B B
A A
ABABAB pattern

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 Wigner-Seitz unit cell in 2D

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 Wigner-Seitz unit cell in 3D

Wigner-Seitz unit cell

for the face-centered
cubic lattice.

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 Outline

Free electron model

Density of states
Crystal structure
Nearly free electrons
Band diagrams
Band gaps
2D Heterostructures

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 Nearly Free Electron Model

Bloch states of H

k is a property of the
lattice (called crystal
momentum), do not
confuse this with the
a free electron model.

+ + + + +

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 The Reciprocal Lattice in 1D

Real Space (x-axis) Reciprocal Space (k-axis)

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 The Reciprocal Lattice

Real Space (x-axis) Reciprocal Space (k-axis)

2 1 2 3 4 5

Brillouin zones

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 The Reciprocal Lattice (mathy stuff)

The reciprocal lattice is the

set of all wave vectors, K,
that produce plane waves
with a periodicity of the real
lattice, R.

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 The First Brillouin zone

Bloch states of H

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 Intermission

Free electron model

Density of states
Crystal structure
Nearly free electrons
Band diagrams
Band gaps
2D Heterostructures

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 Energy

(a) A single free electron states with

energy E = 2k2/2m.
(b) Introduction of a neighboring
electron state centered at K.
(c) Distortion at the Bragg plane. The
degeneracy is split by 2UK.
(d) Extended zone scheme for the
original parabola in (a)
(e) Effect of additional Bragg planes.
(f) Reduced zone scheme
(g) Repeated zone scheme
High
energy
2UK
Low
energy

+ + + + +
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 Electrons in an empty 3D lattice

Example: fcc lattice

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 Some typical materials

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 Filling the crystal with electrons

Fermi energy

Bandstructure of GaAs (with spin orbit)

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 The Bandgap Engineers Handbook

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 2DEG Heterostructures

2-dimensional electron gas (2DEG)

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 Interfaces

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 Quantum Well Structure

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 The Si MOSFET - a 2D electron gas

BIASED GATE
DRAIN SOURCE
OXIDE LAYER
+++++ +++++

INSULATING OXIDE LAYER

n+ n+
CHANNEL

CRYSTALLINE Si
p-TYPE

TRANSMISSION ELECTRON MICROGRAPH

OF THE Si-SiO2 INTERFACE IN A MOSFET

band bending diagram for a p-type MOSFET

under conditions of strong inversion

electrons are confined in a the quasi

triangular potential well that forms at the
interface as a result of the band bending
induced by the gate voltage

the effective width of this well is a few

nanometers but can be tuned by a variation in
BAND-BENDING IN THE Si MOSFET
the applied gate voltage
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 The Physics Nobel Prize in 2000

Zhores I. Alferov Herbert Kroemer Jack S. Kilby

The Nobel Prize in Physics 2000 was awarded "for basic work on
information and communication technology" with one half jointly
to Zhores I. Alferov and Herbert Kroemer "for developing
semiconductor heterostructures used in high-speed- and opto-
electronics" and the other half to Jack S. Kilby "for his part in the
invention of the integrated circuit".

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 Readings

Free electron model

Density of states
Crystal structure
Nearly free electrons
Band diagrams
Band gaps
2D Heterostructures
Readings:

C. Kittel Introduction to Solid State Physics, Chapter 6 8;

J. Davies The Physics of low-dimensional semiconductors,

Chapter 2.1 2.7.

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