Class Exercise:

Concept for surface structure by the K Space

(1) The Primitive Cell

2-D lattices SC BCC FCC

(periodic structures)

 a 1  ai a 1  12 a i  j  k   a 1  12 a i  j
  
 a 2  aj a 2  2 a  i  j  k  a 2  2 a  j  k 
1 1

a  ak a  1 a i  j  k   a  1 a k  i 
 3  3 2  3 2
1
SC BCC FCC
 A primitive cell (BCC) A primitive cell (FCC)
BCC 2 atoms (unit cell) 1 atom (primitive cell)
FCC 4 atoms (unit cell) 1 atom (primitive cell)

It is easy to prove that the volume of the new primitive cell is

1
V  a1.(a 2  a 3 )  a 3  BCC
2
1
V  a1.(a 2  a 3 )  a 3  FCC
4 2
(2) Surface Structure in the K Space:
Basic Theory of LEED
Let a periodic lattice be (r), so (r + Rl) = (r) (1)
Where Rl = l1a1 + l2a2 + l3a3

Now we make (r) expansion in Fourier series

(r )   ( K h )eiK h .r (2)
h

Note h represents three integers (h1, h2, h3), while   

h h1 h2 h3

Thus, (r  Rl )   ( K h )eiK h .r .eiK h . Rl (3)

h

Put equations (2) and (3) into equation (1), we have

e iK h . R l
1 (4)

i.e. Kh.Rl = 2 ( are integers) (5) 3

Discussion:
 Rl is the real lattice vector. The base vector is ai (i =1, 2, 3)
 Kh is the reciprocal lattice vector. The base vector is bj
(j =1, 2, 3).  Kh = h1b1 + h2b2 + h3b3
 The relationship is
 2 (i  j )
ai .b j  2 ij 
 0 (i  j ) (6)
If the real lattice base vectors are a1, a2, a3, the definition
of the reciprocal lattice base vector (b1, b2, b3) is
2 a2  a3 
b1  


2 a3  a1  (7)
b2  
 
2 a1  a2 
b3  

 is the volume of the crystal primitive cell.  = a1.[a2  a3]
4
 MBE 4048 Homework Nine Solutions
1 (6). Using the vector calculation method, compute the volume for
both simple cubic lattice and its reciprocal lattice.

Answer:

Reciprocal lattice

5
 1 (6). Using the vector calculation method, compute the volume for
both simple cubic lattice and its reciprocal lattice.

Answer:
a2  a3 2
b1  2  x
a1.(a2  a3 ) a
a1  ax
a3  a1 2
a2  ay b2  2  y
a1.(a2  a3 ) a
a3  az a1  a2 2
b3  2  z
a1.(a2  a3 ) a
a1  (a2  a3 )  a 3 3
 2 
b1  (b2  b3 )   
 a 

Note: When the original lattice (the direct lattice) rotates,

its reciprocal lattice rotates the same amount as well.
6
1 (7). A primitive cell for FCC and BCC (see MBE 2034).

7
 ( 2 ) 3
2. Prove the following relationship.   *


Where * is the volume of the reciprocal lattice primitive cell and
 is the volume of the real space lattice primitive cell.

Answer:
( 2 ) 3
*  b1  (b2  b3 )  (a2  a3 )  (a3  a1 )  (a1  a2 )
 3

Use  A x (B x C) = (A • C)B – (A • B)C

(a3  a1 )  (a1  a2 )  (a3  a1 )  a2 a1  (a3  a1 )  a1 )a2  a1

3
 2  ( 2 ) 3
( 2 ) 3
*    (a2  a3 )  a1  (a2  a3 )  a1 
  
2

8
 3. Prove that a set of lattice planes (h1h2h3) in the real space lattice is
perpendicular to the reciprocal lattice Kh = h1b1 + h2b2 + h3b3 .
Note: the intercepts of the base vectors a1, a2, and a3 in the lattice plane
(ABC) are a1/h1, a2/h2 and a3/h3, respectively.
a3
C Kh
a2
B
0 a1
A
Solution: From the figure, CA=OA-OC=a1/h1-a3/h3 and
CB=OB-OC=a2/h2-a3/h3 . If we can prove Kh•CA=0 and Kh•CB=0,
Kh is perpendicular to a set of lattice planes (h1h2h3).
a1 a3 a a
ai  b j  2 ij K h  CA  (h1b1  h2b2  h3b3 )  (  )  h1b1  1  h3b3  3  0
h1 h3 h1 h3
a2 a3 a a
K h  CB  (h1b1  h2b2  h3b3 )  (  )  h2b2  2  h3b3  3  0
h2 h3 h2 h3
9
 4. Prove that the length of the reciprocal lattice Kh is inversely
proportional to the distance of lattice planes (h1h2h3).

Solution: see the figure above

a1 K h a1 (h1b1  h2b2  h3b3 ) 2

d h1h2h3    
h1 K h h1 h1b1  h2b2  h3b3 Kh

the distance from 0 to the plane (ABC)

a3
C Kh
a2
B
0
A a1
10
5. Using XPS to detect the C 1s binding energy in diamond-like-carbon films.
If Mg K x-ray source (h=1254 eV) is used and the detected electron
kinetic energy EK is 970 eV, what is the value of C 1s binding energy EB.

Solution:

EB = hν – Ekin
For Mg Kα x-rays: hν = 1254 eV

Ekin = 970 eV  For C1s : EB = 284 eV

11
C-Al-N thin films

12
6. Auger electrons created by electron bombardment of sample are ejected from
near surface (1-3 nm) with characteristic energies. Analysis of the Auger
electron energies yields a quantitative measure of the surface composition.
Show the core electron energy relationship (see the figure below).

Solution:

EK – EM = EN + Ekin
Ekin = EK – EM – EN 13
 Class Exercise: How solar cells work?

Structure of a Solar Cell

 A typical solar cell is a multi-layered material.
 Cover Glass  provide outer protection from the elements.
 Transparent adhesive  hold the glass to the rest of the solar cell.
 Anti-reflective coating  prevent the light that strikes the cell from
bouncing off so that the maximum energy is absorbed into the cell.
 Front contact  transmit the electric current.
 N-type semiconductor layer  doped with phosphorous.
 P-type semiconductor layer  doped with boron.
How solar cells work?

2
 What is Solar Energy?
 Originates with the
thermonuclear fusion
reactions occurring in
the sun.

 Represents the entire

electromagnetic
radiation (visible light,
infrared, ultraviolet, x-
rays, and radio waves).
 How much solar energy?

The surface receives about 47% of the total solar energy that
reaches the Earth. Only this amount is usable
 Silicon: Revisit
Silicon is the primary semiconductor used in VLSI systems

Si has 14 Electrons

Energy Bands
(Shells) Valence Band

Nucleus

At T=0K, the highest

Silicon has 4 outer shell / energy band occupied by
valence electrons an electron is called the
valence band.
 Energy Bands

• Electrons try to
Disallowed
occupy the lowest
energy band possible
} Energy States
• Not every energy
level is a legal state
Increasing for an electron to
Electron
Energy
occupy
Allowed
• These legal states
} Energy
States tend to arrange
themselves in bands

Energy Bands
 Band Diagrams
EC
Increasing electron energy

Eg

EV

Band Diagram Representation Increasing voltage

Energy plotted as a function of position

EC  Conduction band
 Lowest energy state for a free electron

EV  Valence band
 Highest energy state for filled outer shells

Eg  Band gap
 Difference in energy levels between EC and EV
 No electrons (e-) in the band gap (only above EC or below EV)
 Eg = 1.12eV in Silicon
Electronic Band Structure (Energy Band)

The band gap is one of the most useful aspects of the band structure, as it strongly influences
the electrical and optical properties of the material. Electrons can transfer from one band to the
other by means of carrier generation and recombination processes. The band gap and defect
states created in the band gap by doping can be used to create semiconductor devices such
as solar cells, diodes, transistors, laser diodes, and others.

8
9
 Intrinsic Semiconductor
Silicon has 4 outer shell / valence
electrons

Forms into a lattice structure to share

electrons
Intrinsic Silicon
The valence band is full, and no
electrons are free to move about

EC

EV

However, at temperatures above T=0K,

thermal energy shakes an electron free
 Semiconductor Properties
For T > 0K

Electron shaken free and can cause • Generation – Creation of an electron (e-)
current to flow
and hole (h+) pair
• h+ is simply a missing electron, which
leaves an excess positive charge (due to
an extra proton)
• Recombination – if an e- and an h+ come
in contact, they annihilate each other
h+ e– • Electrons and holes are called “carriers”
because they are charged particles –
when they move, they carry current
• Therefore, semiconductors can conduct
electricity for T > 0K … but not much
current (at room temperature (300K), pure
silicon has only 1 free electron per 3
trillion atoms)
 Doping
• Doping – Adding impurities to the silicon
crystal lattice to increase the number of
carriers
• Add a small number of atoms to increase
either the number of electrons or holes
 Periodic Table
Column 3 Elements Column 4 Elements
have 3 electrons in have 4 electrons in the
the Valence Shell Valence Shell

Column 5 Elements
have 5 electrons in
the Valence Shell
 Donors n-Type Material
Donors
• Add atoms with 5 valence-band electrons
• ex. Phosphorous (P)
• “Donates” an extra e- that can freely travel
around
• Leaves behind a positively charged nucleus
(cannot move)
• Overall, the crystal is still electrically neutral
• Called “n-type” material (added negative
carriers)
• ND = the concentration of donor atoms
[atoms/cm3 or cm-3] +
~1015-1020cm-3
• e- is free to move about the crystal (Mobility n
≈1350cm2/V)
 Donors n-Type Material
Donors n-Type Material
• Add atoms with 5 valence-band electrons
• ex. Phosphorous (P)
• “Donates” an extra e- that can freely travel – – – –
+ + – + + + +
around
• Leaves behind a positively charged nucleus + + – –
– + – + –
(cannot move) + + +
• Overall, the crystal is still electrically neutral – – –
– + +
• Called “n-type” material (added negative + + –
+ – + –
carriers)
• ND = the concentration of donor atoms
[atoms/cm3 or cm-3]
~1015-1020cm-3 Shorthand Notation
• e- is free to move about the crystal (Mobility n + Positively charged ion; immobile
≈1350cm2/V) Negatively charged e-; mobile;
–
Called “majority carrier”
Positively charged h+; mobile;
+ Called “minority carrier”
Acceptors Make p-Type Material
Acceptors
• Add atoms with only 3 valence-band
electrons
• ex. Boron (B)
• “Accepts” e– and provides extra h+ to freely
travel around
• Leaves behind a negatively charged nucleus
(cannot move)
• Overall, the crystal is still electrically neutral
h+ • Called “p-type” silicon (added positive
carriers)
– • NA = the concentration of acceptor atoms
[atoms/cm3 or cm-3]
• Movement of the hole requires breaking of a
bond! (This is hard, so mobility is low, μp ≈
500cm2/V)
 Acceptors Make p-Type Material
p-Type Material Acceptors
• Add atoms with only 3 valence-band
electrons
+ + + +
– – + – – – – • ex. Boron (B)
+ + • “Accepts” e– and provides extra h+ to freely
– –
+ – + – + travel around
– – –
+ • Leaves behind a negatively charged nucleus
+ – + + (cannot move)
– – + –
– + – + • Overall, the crystal is still electrically neutral
• Called “p-type” silicon (added positive
carriers)
Shorthand Notation • NA = the concentration of acceptor atoms
– Negatively charged ion; immobile [atoms/cm3 or cm-3]
Positively charged h+; mobile; • Movement of the hole requires breaking of a
+
Called “majority carrier” bond! (This is hard, so mobility is low, μp ≈
Negatively charged e-; mobile; 500cm2/V)
– Called “minority carrier”
 MBE 4048 Homework Ten Solutions
1.
Radio Frequency (RF): Wireless communication technology using
electromagnetic waves to transmit and receive data (RF provides
real-time access to a host computer).

Photonics: The technology of transmission, control, and detection

of light (photons, E = hν).

Microelectronics: Those micro devices, such as integrated circuits,

which are fabricated in sub-micron dimensions and which form
the basis of all electronic products.
Photovoltaics (PV):
The technology of the conversion of sunlight into electricity
19
2. Semiconductor plays a key role in microsystems. The figure shows the electron
motion under an electric field. Drive the following expressions:
1) the electron drift velocity vn
2) the electron mobility n
3) the electron conductivity σn
4) the electron resistivity ρn

Answer:
dv
J  E
drift m  F  qE
dt
J drift  qpvp  qpvn q
dv   Edt
vn   n E m
(1)
vp   p E (2)
q
v    tE   n E
J drift  qp p E  qn n E m
(3)
1 1 (4)
J drift  n E  n  qn n n  
t  v?
n
 n qn n
1 1 Could it be infinite?
J drift
p  pE  p  qp p p  
 p qp p
20
3. For Si at 296.5 K (room temperature), the intrinsic electron density
ni ~ 1x1010 cm-3, the electron mobility n=1422 cm2/V-s, and the hole mobility
p=478 cm2/V-s. Assume for n type semiconductor, donor impurity density
n=ND=5x1013 cm-3, prove the carrier conductivity

  n  p  n
Solution: For n type semiconductor, for instance
n  N D  5  1013 cm 3 (donor impurity concentration)
n i2
p  2  10 6 cm 3
n
 n  q n n  1.6  10-19  1422  5  1013
 1.14  10 -2  -1cm 1

 p  q p p  1.6  10 -19  478  2  10 6

 1.52  10 -10  -1cm 1

  n  p  n
Conclusion:
Minority carrier conductivity can be neglected compared with the majority
carrier conductivity. This is known as extrinsic conductivity. 21
4. A photon in a ZnS semiconductor drops from an impurity energy level
at 1.38 eV below its conduction band to its valence band.
(1) Calculate the wavelength  of the radiation given off by the photon
in the transition.
(2) Calculate the wave number k in cm-1.

Note: ZnS has an energy band gap of 3.54 eV. The Planck’s constant
h = 6.63x10-34 J s, the speed of light c = 3.0 x 108 m/s, and 1 eV = 1.60 x 10-19 J.

Solution:
hc hc c
λ   ν  and E  hν
ΔE (3.54  1.38)eV λ

(6.62  10 34 Js)(3.00  108 m/s)

λ
(2.16 eV)(1.60  10 19 J/eV)(109 m/nm)
 574.7 nm
1 1
k  1.74  10 4
cm
574.7  10 9  107
22
5. Describe the scaling effect from the macro world to the micro/nano world.

Answer:
 Dominant physical phenomena are different from those of
the macro world.
 Adhesive forces (van der Waals force, electrostatic forces,
surface tension) are more dominant than gravity
in micro/nano world

van der Waals force: the attractive or repulsive forces (weak) between molecules 23
 6. Figure (a) shows a model of a solar cell, which is electrically equivalent.
An ideal solar cell may be modeled by a current source in parallel
with a diode; in practice no solar cell is ideal, so a shunt resistance (RSH)
and a series resistance component (RS) are added to the model.

where Vjunction = V + IRS

 I = output current (A)
 IL = photo-generated current (A)
 ID = diode current (A)
 ISH = shunt current (A)

Solution:
  qVj  
Characteristic equation for a pn juction I D  I O exp   1
  nk BT  
By KCL, we have I  I L  I D  ISH
From MBE 2029
  q(V  IR S )   V  IR S
I  I L  I O exp   1  Shockley diode equation
  nk BT   R SH
24
 Definition: A solar cell is any device that directly converts the energy in light into
electrical energy through the process of photovoltaics (PV).

Pm

E  AC

A solar cell's energy conversion efficiency (η), is the percentage of power converted
(from absorbed light to electrical energy) and collected, when a solar cell is connected to an
electrical circuit. This term is calculated using the ratio of the maximum power point, Pm,
divided by the input light irradiance (E, in W/m2) under standard test conditions (STC) and
the surface area of the solar cell (Ac in m2).

Solar Cell Sets World Efficiency Record At 40.8% 25

By U.S. Department of Energy's National Renewable Energy Laboratory (NREL) in 2008.
 Class Exercise:
The Einstein’s Photoelectric Effect
A successful explanation of the photoelectric effect was given by Einstein in
1905. He extended Planck’s concept of quantization to electromagnetic waves.
Test metal
Electrons
E K  h  
 h  h O

 is the work function of the metal. The work function represents the minimum
energy required to remove a delocalized electron from the surface of any given
metal.

Work Functions of Selected Metals

Metal Na Al Cu Zn Ag Pt Fe
2.28 4.08 4.70 4.31 4.73 6.35 4.5 1
Class Exercise: (Nano-) Photolithography

Photolithography is a six step process. 2

Example: Photolithography

3
4
Fabrication is independent of the complexity
of the pattern.

Mass production:
• many chips per wafer
• many wafers per batch
• many batches per day

5
For example: MEMS chip, also called "lab on a chip”

6
 MBE 4048 Homework Eleven Solutions
1.
What is heat?
Heat is a form of energy created by motion of atoms and molecules.
What is temperature?
Temperature measures the average kinetic energy of random motion
of atoms and molecules.
Heat transfer modes:
 Conduction: Media – solid, liquid or gas
 Convection: Media – no solid
 Thermal radiation: No media. Electromagnetic wave.

Reliability is the probability that a device, system, or process

will perform its prescribed duty without failure for a given time
when operated correctly in a specified environment. 7
2. In electronic packaging, composite media (material) is usually used for
good thermal conductivity. What is the expression of Q (heat conduction)?
Also what is the thermal resistance for the composite media.

Solution:
T2  T1
According to Fourier’s Law Q  kA
L
Electrical thermal analog  Ohm’s law

T1  T2
Q Rth  L /(kA) thermal resistance
Rth
 Rth1  Rth2    RthN
composite
Rth

Q  T1  T2  R composite
th Heat conduction by composite media
8
3. In microelectronics, the sheet resistance is applicable to two-dimensional
systems where the thin film is considered to be a two-dimensional entity.
It is analogous to resistivity used in three-dimensional systems.
Derive the expression of the sheet resistance RS.

Solution: In a regular 3-D conductor, the resistance can be written as

where ρ is the resistivity, A is the cross-sectional area and L is the length.

The cross-sectional area can be split into the width W and the sheet thickness t.
By grouping the resistivity with the thickness, the resistance can then be written as:

Comment: Normally selecting L=W, so RS is also called the square resistance.9

4. Basic principle of elasticity: In mechanical design of a microsystem,
prove the following relationship. F is the force, L the length, ∆L the extension,
E the Young’s modulus, and A the cross-section area.

FL
L 
Answer: EA

Basic principle of elasticity

Length L
Cross section area A
  E under elasticity

L FL
L  L  
E EA
Extension ∆L Force F
10