Nano Materials for Electronics:

Graphene and Carbon Nano Tube

Prof. Cemal Basaran
Director, Electronic Packaging Laboratory
State University of New York at Buffalo

Table of Contents

Introduction
Research Conducted on CNTs
Projects Underway on CNTs
Research Conducted on GNRs
Projects Underway on GNRs
Conclusions

Why is graphite different from Diamond?

Graphite

Diamond Stable electron configuration

1s22s22p6

Graphene as the mother of all other forms

Graphene (2004)

Fullerene (1985)

Carbon Nanotube (1991)

Graphite

What are Carbon Nanotubes (CNTs)

CNTs can be divided into single-walled carbon Nanotubes
(SWCNT) and multi-walled carbon Nanotubes (MWCNT)

Single Walled Carbon Nanotube

Multi-Walled Carbon
Nanotube
5

Example: Rollable Electronics

Potential for Power Electronics

Conventional power electronics are limited in
terms of power capacity and temperature
range. Due to problems such as temperature,
thermo-migration and electro-migration
which limit the use of conventional metals
and semiconductors .
CNTs and Graphene have the potential to
operate with very high current density (1010
Amp/cm2), and at very high temperatures.

Objective
1. Show that SWCNT and graphene are viable
alternatives for next generation power
electronics
2. Develop the necessary computational
framework for using them for power
electronics applications

Road Blocks to Progress in Electronics

Harvard Mark I (1944)

16m0.6m2.4m, 4500kg

High current density induced electromigration

Temperature gradient induced thermomigration
Stress gradient
Thermal load

Electromigration
The mass transport of a metal due to the momentum transfer
between conduction electrons and diffusing metal atoms.

Driving Force:

Fem Fwind Fdirect

Z wind Z el eE
Z *eE
Z *e j
10

Why Replace Metals?

Electromigration and Thermo migration

Board presentation
PCB board

current in
Voltage meas.2
current out
Voltage meas.1
Voltage meas.2

Voltage meas.1

current in

Voltage meas.1

current out

Voltage meas.2

current in

Experiment 2
9-Aug-13

Package test vehicle

- Back side (balls),
- Front side (no molding)

current out

Experiment 1

Experiment 3

12

BGA substrate presentation

Experiment 3
-12 balls to bring current
-metal1 only used to carry
current to the test ball

Test ball

Test ball
Test ball
Experiment 1
-9 balls to bring current.

Experiment 2
-12 balls to bring current
-metal1&2 of BGA substrate
used to carry current to the
test ball

- metal1&2 of BGA substrate

used to carry current to the test
ball.

9-Aug-13

13

Testing Instrumentations

14

Joule heating of test vehicle

15

Skin Effect
Current density has highest value at skin layer and
decrease exponentially toward center of
conductors
/
=

16

Research Conducted on CNTs

Introduction
The goal of this study is to determine

I. Joule heating
II. Current Carrying Capacity
III. Reliability- Damage
Mechanics

Methods Used
The Energy Transfer (joule heating) and
Momentum Transfer (wind forces) from the
electrons to the lattice is modeled using

Quantum Mechanics

Molecular Dynamics.

Electron Scattering Rates

2
DLA
(q 2 (2 / d ) 2 )
1 1 dE
LA
S ((k , ), (k , ))
(
N
(
E
(
q
,

))

)
p
LA
2 E p ( q, )
2 2 dk

2
DLO
1 1 dE
LO
S ((k , ), (k , ))
(
N
(
E
(
q
,

))

)
p
2 E pLO (q, )
2 2 dk

( k , )

For LA

( k , )

For LO

The scattering rates are

directly influenced by
the presence of hot
phonons, which creates
an overall scattering
increase.

Cumulative Energy Transferred to

the lattice (Joule Heating)
With the presence of
hot phonons the
cumulative energy
transfer to the lattice
has a nonlinear
dependency with
time (fine curves).

Joule Heating
Hot phonons create
an increase in the
Joule heating power
(curve without
markers) of SWCNTs.
This influence is
more pronounced for
low temperatures
and slowly diminishes
with increasing
temperatures.

Cumulative Momentum
Transferred to the Lattice (Wind
Forces)

The presence of hot phonons in SWCNTs does not change the

amount of momentum transferred to the lattice.

24

Projects Underway on CNTs

Chirality and Defect/Impurity

Influence of Capacity

Chirality of Carbon nanotubes

CNTs are normally defined
by the Chirality vector Ch
(n,m) of the revolved
graphene sheet, where the
two main categories of
carbon nanotubes according
to chirality are Chiral and
Achiral (Zigzag and
Armchair) Armchair is always
metallic Zigzag and Chiral CNTs are
metallic if n-m is a multiple of 3)

a2
30

Ch

a1
Y
X

A. (3,3) Armchair nanotube

Ch
Y

a1

B. (5,0) Zigzag nanotube

a2

a1

Ch

Y
X

C. (4,2) Chiral nanotube

26

Phonon-Phonon Interactions
The transport properties of both heat and momentum are
directly affected by the quantized vibrations of the lattice
(phonons).
Phonon-phonon interactions
properties discussed earlier.

will

directly

influence

the

Understanding how phonons interact with one another is

crucial to the design of carbon based electronics.
The ability to control phonon-phonon interactions will allow us
to better harness the potential of CNTs for power electronics.

Influence of Strain

Strain in the lattice influences the electrical properties of CNTs by

modifying the interactions strength of phonon-phonon scattering
and increasing the creation of defects.

Influence of Defects

Defects in CNTs deteriorate the electrical and mechanical

properties. It is, therefore, necessary to comprehend their impact
and control their presence at the manufacturing level.

Research Conducted on GNRs

Why GNRs?

Graphene is zero gap semimetal

Ref: Saumitra Raj Mehrotra;

Gerhard Klimeck (2010),
http://nanohub.org/resources/8810

How to get GNRs?

GNR Devices Can Be Fabricated Using Existing Assemblylines

Top-down

Ref: Sang-Chul Jeon et al. , Transaction on electrical

and electronic materials (2010)

Bottom up

Ref: Jinming Cai et al., Nature, (2010)

Objective
Electro-Thermo-Mechanical
Properties

Current Density Limit

Joule Heating and Thermal Transport
Failure Mechanism and Reliability

Current work on mechanical properties

Molecular Dynamics Model
AIREBO potential
Virial stress
Uniaxial loading
Equilibrium bond length

Current work on mechanical properties

Pristine GNRs
Armchair and zigzag only

Size effects (Square shape)

Aspect ratio effects:
Fixed Width & Fixed Length

GNRs with arbitrary chiral

angles (under study)

Functionalized GNRs
Chiral GNRs with Hydrogen
on the edge (under study)

Failure of
GNRs
Armchair

Failure of GNRs
Fracture nucleation mechanisms
AGNR: edge controlled heterogeneous nucleation
ZGNR: interior homogenous nucleation

Armchair

Zigzag

Size effects of square GNRs

Aspect ratio effects

Projects underway on GNRs

Electro-thermal analysis
EMC simulations of electron transport
Joule Heating Process
Thermal Conduction
Current Carrying Capacity

Important Factors
Perfect pristine GNR vs non-pristine
Edge roughness
Add-on atoms and defects
Interactions with substrate surface phonons

Conclusions
Size effects
Significant for zigzag GNRs
Larger zigzag GNRs are weaker

Negligible for armchair GNRs

Aspect ratio effects

Mainly present in zigzag GNRs of fixed length
Narrower zigzag GNRs are stronger

For fixed length zigzag GNRs, changing width

doesnt effect material properties
Armchair GNRs are insensitive to aspect ratio

Conclusions
I.

A Computational Framework is developed to analyze

and design for high power applications

II. It is shown that SWCNT can operate at 1200 oC and

current densities on the order of 10 9 Amp/cm2

III. Current carrying capacity is much higher than

Copper, because electromigration and
thermomigration mechanism that dominate metals
does not exist in SWCNT in GNR

Journal Publications Resulting from Project

1.

Ragab, T., Basaran, C., Joule heating in single-walled carbon nanotubes, Journal of Applied
Physics, (2009). Vol. 106, Issue 6, pp 63705,

2.

Ragab, T. and Basaran, C. A Framework for Stress Computation in Single-Walled Carbon Nanotubes
Under Uniaxial Tension Computational Material Science, (2009) 46, 1135-1143,

3.

Ragab, T., Basaran, C., A quantum mechanical formulation of electron transport induced wind
forces in metallic single walled carbon nanotubes. Carbon, (2010). Vol. 48, Issue 1, pp 47,

4.

Ragab, T., Basaran, C., Semi-classical transport for predicting joule heating in carbon nanotubes.
Physics Letters A, (2009), Vol. 374, Issue 24, pp 2475,

5.

Ragab, T., Basaran, C., The prediction of the effective charge number in single walled carbon
nanotubes using Monte Carlo simulation. Carbon, ( 2011) Volume49, issue2, pp 425

6.

Ragab, T. and Basaran, C. The Unraveling of Open-Ended Single Walled Carbon Nanotubes Using
Molecular Dynamics Simulation, ASME Journal of Electronic Packaging, June 2011, Vol. 133,
020903-1- 7.

7.

Gautreau, P., Ragab, T., Basaran, C., Hot Phonons Contribution to Joule Heating in Single-Walled
Carbon Nanotubes, Journal of Applied Physics ,( accepted October 24, 2012,)

8.

Chu, Y., Ragab, T. and Basaran, C., Size Effect in Graphene Nanoribbon, Carbon (submitted
August 15, 2012)

Journal Publications Resulting from Project

9.

10.

11.

12.

13.

14.

Sellers, M., Schultz, A. J., Basaran , C. and Kofke, D., Effect of Cu and Ag Solute
Segregation on bSn Grain Boundary Diffusivity, Journal of Applied Physics, 110,
013528-1 (2011)
Sellers, M., Schultz, A. J., Kofke, D., and Basaran , C Solute Effects on bSn Grain
Boundary Energy and Shear Stress, ASCE Journal of Nanomechanics and
Micromechanics ,Vol. 1, Number 1, pp. 41-50, March 2011,
Seller, M., Schultz, A., Basaran, C. and Kofke, D., bSn Grain Boundary Structure
and Self-Diffusivity via Molecular Dynamics Simulation Physical Review B, 81,
134111 (2010)
Lee, Y. and Basaran, C., Molecular Dynamics of Visco-Plasticity in b-Tin Lattice
and Grain Boundary. Computational Material Science, (accepted October 23,
2012).
Lee, Y. and Basaran, C.,A Multi-scale Modeling Approach for Bridging Molecular
Dynamics with Finite Element Analysis,(submitted September 21, 2011, in
revision) Journal of Computational Physics,
Lee, Y. and Basaran, C., Molecular Dynamics Simulations of b-Tin Lattice in
Shear, ASCE J. of Nanomechanics and Micromechanics (submitted July 17 2012)

Journal Publications Resulting Project

15. Yao, W. and Basaran, C., Electromigration Analysis of Solder Joints under AC
Load: a Mean Time to Failure Model J. of Applied Physics, 19 March 2012, Journal
of Applied Physics , Vol.111, Issue 6,
16. Yao, W., Basaran. C., Reduced Impedance and Super Conductivity of Lead-free
Solder Alloys at Very High Frequencies, Volume 8, No 5 (2012) 503-505, DOI:
10.1007/s13391-012-2054-6 Electronic Materials Letters,
17. Yao, W. and Basaran, C., Electromigration Damage Mechanics of Lead-Free
Solder Joints Under Pulsed DC Loading: A Mean Time to Failure Model (submitted,
April 17, 2012), Comp. Material Science,

18. Yao, W., and Basaran, C., High Frequency Pulsed Current Electromigration failure
of Lead-Free Solder Joint: an Experimental Study, (submitted July 11, 2012) J. of
Applied Physics,
19. Yao, W. and Basaran, C. Electromigration Mean Time to Failure of Lead-free
Solder Joints under AC, J of Applied Physics (submitted August 27, 2012)
20. Yao, W. and Basaran, C.Electrical Pulse Induced Impedance and Material
Degradation in IC Chip Packaging, J. of Materials Science, (submitted October
15, 2012)