why is nanotechnology multidisciplinary? a perspective of...

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Gerhard Klimeck

online simulations and more

Network for Computational Nanotechnology 1

Gerhard KlimeckTechnical Director

Network for Computational Nanotechnology

October 3, 2006

Why is NanotechnologyMultidisciplinary?

A perspective of one EE

Univ. of Florida, Univ.of Illinois, Norfolk State, Northwestern, Purdue, Stanford, UTEP

Network for Computational Nanotechnology (NCN)Presents Nano 101

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Gerhard Klimeck



Why is Nanotechnology Multidisciplinary?Presentation Outline

•How small is a nanometer?•A simple view of traditional disciplines (from an EE perspective)•How do the disciplines meet?•How do traditional EE’s approach Nanotechnology? Moore’s Law•A Multidisciplinary Example - NEMOWhy do we need simulation?NEMO - an example of an industrial multi disciplinary research effortWhat is atomistic bandstructure?

•Another exampleNetwork for Computational Nanotechnology (NCN) and nanoHUB.orgBeing of service to othersA project organizationOn-line simulationInteractive lecturesReal impact

•Are you interested in nanoHUB.org?

3

What is nanotechnology?

(from Prof. Mildred Dresselhaus, MIT)

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Gerhard Klimeck



How big is a nanometer?

• 1 billionth of a meter• 1/50,000 the diameter of a human hair• 40% of the diameter of a DNA molecule• 5 times the interatomic spacing in a silicon crystal

1 nm

PolySi image: C. Song, NCEM

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Gerhard Klimeck



Dust mite~500 µm

Ant~5 mm

Human hair10-50 µm dia.

Fly ash~10-20 µm dia.

Red blood cellswith white cell

2-5 µm dia.

~10 nm dia.ATP synthesis

DNA2.5 nm dia. Atoms in silicon

0.2 nm spacing

Quantum corral of 48 iron atoms on copper surface positioned one at a time with an STM tip - Corral diameter 14 nm

Carbon nanotube~2 nm diameter

Nanotube devices (C. Dekker)

Red blood cellsPollen grain

Microelectromechanical devices10-100 µm wide

Head of a pin1-2 mm

Assemble nanoscalebuilding blocks to make functional devices,e.g., a photosyntheticreaction center withintegral semiconductorstorage

1 nanometer (nm)

1000 nanometers=1 micrometer(µm)

Visi

ble

spec

trum

0.1 nm

0.01 µm10 nm

0.1 µm100 nm

0.01 mm10 µm

0.1 mm100 µm

1,000,000 nanometers=1 millimeter(mm)

1 cm10 mm

The

Nan

owor

ldTh

e M

icro

wor

ld

10-2m

10-3m

10-4m

10-5m

10-6m

10-7m

10-8m10-8m

10-9m

10-10m

Adapted from: NRC Report: Small Wonders, Endless Frontiers: Review of the NationalNanotechnology Initiative (National Research Council, July 2002)

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Gerhard Klimeck



Traditional Disciplinesa personal perspective

Dealing with Atoms:• Physics/Material Science:

Interests: Understanding how electrons and atomic cores interactGeometries/Conditions: typically large in equilibrium

• Chemistry: Interests: Combining atoms to molecules to create new functionalitiesGeometries/Conditions: typically large number of molecules of the same kind

• Biology: Interests: Empirical understanding of macro-moleculesGeometries/Conditions: very large molecules in solutions

Making Things Small• Electrical Engineering / Mechanical Engineering

Interests: small, fast, and no-so-hot computersGeometries/Conditions: tens of nanometer large, far-from-equilibrium

Dealing with Discrete Bits of Information• Computer Science / Computer Engineering

Interests: How can information be encoded, processed, and transmittedConditions: Algorithms

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Gerhard Klimeck



How do the disciplines meet?Some examples

Man-made structures with nanometer dimensions

=> ~100,000-1M Atoms

Electrical Engineers:A small transistor device!

Material Scientists:A new material!

Physicists:Observable

quantum effects!

Chemists:A very large molecule!!

Biology:Sensing at the

bio-scale!

Computer Science/Engineering:New Information Representations!

Mechanical Engineers:A small Resonator!

One Grand Challenge:Engineering systems at the nanoscale - Can we model/simulate and build?

Interests: Assemble nano-scale elements to artificial systems composed with new functionConditions: in non-equilibrium, experimental exploration simplified by simulation?

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Gerhard Klimeck



Nano in Traditional Electrical EngineeringMoore’s Law

Gordon Moore - Co-founder of Intel in 1965:Paraphrased: Circuit complexity / capability doubles every 18 months at constant cost

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Gerhard Klimeck



kT >>e2

2C

kT <<e2

2C

1-Dfeature5-100 Å

2-Dfeature

Lithography

Gro

wth

Exponential performance increase:• Enabled by

•device miniaturization•chip size increase

• Limited by:•Costs of fabrication

2D F

eatu

re

Moore’s Law for Lithography

A Second Look at Moore’s LawShrinking Device Sizes

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Gerhard Klimeck



kT >>e2

2C

kT <<e2

2C

1-Dfeature5-100 Å

2-Dfeature

Lithography

Gro

wth



• Limited by:•Costs of fabrication•Discrete atoms/electrons

A Third Look at Moore’s LawCountable number of electrons

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Gerhard Klimeck



kT >>e2

2C

kT <<e2

2C

1-Dfeature5-100 Å

2-Dfeature

Lithography

Gro

wth



• Limited by:•Costs of fabrication•Discrete atoms/electrons

Quantum Dots• Artificial Atoms - Electron Boxes

1D Heterostructures• Lasers and detectors• Fast electronic devices

A Third Look at Moore’s LawCountable number of electrons

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Gerhard Klimeck







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Gerhard Klimeck



Simulation is Essential forNanoscale Electron Devices

Simulation

Characterization Fabrication

Hint from the Semiconductor Industry:• Moore’s law is really supported bysimulation!

• No new devices / circuits designed withoutsoftware!

Problems:• There are no nanoelectronic design tools!• Design space is huge

• Choice of materials, shapes,orientations, dopings, heat anneals

• Characterizations are incomplete andinvasive / destructive

Simulation Impact:• Aid Design. Fast, cost effective.

-> Device performancealready successful for 1-D quantum devices

• Aid Characterization• Non-invasive, More accurate-> Structure and doping analysisalready successful for 1-D quantum devices

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Gerhard Klimeck



A Multidisciplinary Research ExampleNEMO at Texas Instruments 1994-98

Manager / Sales Person•We can build devices with atomic layercontrol that enable THz dataprocessing

Electrical Engineer•We need a s/w to guide experimentsPhysicist / Electrical Engineer•We need a fundamental transporttheory

20/50/ 2

Computer Scientist / Engineer•We need new algorithms to enable thefast computation of the new theory

Software Engineer•We need a graphical user interface

All of them•Need to understand some “nano”

Transport /Engineering

Quantum Mechanics / Physics

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Gerhard Klimeck



NEMO the fist Nanoelectronic TCAD Tool

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Gerhard Klimeck







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Gerhard Klimeck



Bandstructure BasicsElectron Conduction in Solids

Solid

Transportconductivity, mobility

RegularlyOrderedAtoms

Gas

Quantum MechanicsOptical TransitionsCoulomb Repulsion

s pzpx yp

IsolatedAtom

MultipleSeparated

Atoms

• Bands are channels in which electrons move “freely”.

Physics

Devices

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Gerhard Klimeck



Layers with different band alignments

• • • • • • • • • •

••• • • • • • •

Different Atoms

Different Bandalignments

•• • • • • • • • • ••• • • • • • •

Chain of “blue” and “yellow” atoms

• • ••• • •

Chain of identical “blue” atoms

•• • • •• •

Chain of identical “yellow” atoms

thickness/growth

Ener

gy

Misaligned Bands

Bandstructure Engineering Basics (page 1 of 2)

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Gerhard Klimeck



Layers with different band alignments

• • • • • • • • • •

••• • • • • • •

Barriers and Wells Wave Functions / Eigenstates

Resonance Energies / Eigenvalues

Bandstructure Engineering Basics(page 2 of 2)

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Gerhard Klimeck



Tunneling

ResonantTunneling

Diode

Logic / Memory

PhotonAbsorption

Detectors

Quantum WellInfrared Detector

PhotonEmission

Lasers

Quantum CascadeLaser

Transitions / Transport Controlled by DesignA Plethora of Capabilities

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Gerhard Klimeck



Conduction band diagramsfor different voltages

and the resulting current flow.

Curre

nt

Voltage50nm 1e18 InGaAs7 ml nid InGaAs7 ml nid AlAs20 ml nid InGaAs7 ml nid AlAs7 ml nid InGaAs50 nm 1e18 InGaAs

12 different I-V curves: 2 wafers, 3 mesasizes, 2 bias directions

Basic Operation of aResonant Tunneling Diode

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Gerhard Klimeck





• Bands are channels in which electrons move “freely”.

• Crystal is not symmetricin all directions!

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Gerhard Klimeck





• Bands are channels in which electrons move “freely”.• What does “free” propagation really mean?

• Crystal is not symmetricin all directions!

• Orbitals on each atom give electrons different directional behavior!

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Gerhard Klimeck



Connecting Concepts to Engineering

• • • • • • •• • • •

Atomistic

Curre

nt

Voltage

Concepts

Quantitative Engineering:Design, Analysis, Synthesis

s pzpx yp5x d 2x spin

Basis Sets

Usually considered a deviceThis is also a new material!

Empirical Tight Bindingmakes the connection betweenmaterials and devices!

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Gerhard Klimeck



.

.

Four increasinglyasymmetricdevices:20/50/20 Angstrom20/50/23 Angstrom20/50/25 Angstrom20/50/27 Angstrom

Vary One BarrierThickness

AlA

s

InG

aAs

InG

aAs

AlA

s

W

InG

aAs

WW

Presented at IEEE DRC 1997, work performed at Texas Instrument, Dallas

Testmatrix-Based Verification (room temperature)Strained InGaAs/AlAs 4 Stack RTD with Asymmetric Barrier Variation

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Gerhard Klimeck







27Norfolk State University - Northwestern University - Purdue University - Stanford University - University of Florida - University of Illinois - University of Texas at El PasoNCN

NCNNetwork for Computational Nanotechnology

WWW Graphical User Interface

MiddlewareHardware and Software Management

ApplicationsApplications ApplicationsApplicationsApplications

Academics,Professional,

Teachers,K-12 Students

• Science applications– Electronics– Electromechanics– Bio

• Simulation software– Model resource– Computer resource– Simple interface

• Community building• Remote access• Collaboration• Education• “typical” Web-presence• On-line simulation

28Norfolk State University - Northwestern University - Purdue University - Stanford University - University of Florida - University of Illinois - University of Texas at El PasoNCN

NCNNetwork for Computational Nanotechnology

WWW Graphical User Interface

MiddlewareHardware and Software Management

ApplicationsApplications ApplicationsApplicationsApplications

• Science applications– Electronics– Electromechanics– Bio

• Simulation software– Model resource– Computer resource– Simple interface

• Community building• Remote access• Collaboration• Education• “typical” Web-presence• On-line simulation

Last 12 months:

>16,000 total users

>3,500 simulation users

>94,000 jobs

>30 tools

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Gerhard Klimeck



The NCN as a ProjectOrganization

ApplicationSoftware

On-line SimulationWeb-EnabledMiddleware

Admin.•Budget•Reports•Events•Highlights

ContentManagement• Courses• Homeworks• Tutorials• Debates• Calendar• Collaboration

Web-Presence

TeraGridNMI

21stCentury

Nano Research• Electronics• Mechanics• Bio

ResearchDeliverables• SimulationTools

• Educational Modules

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Gerhard Klimeck



The NCN as a Project Organization



Web-PresenceNano Research• Electronics• Mechanics• Bio

ResearchDeliverables•

•

The NCN is different from any other NSF (Nano) Center

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Gerhard Klimeck



The NCN as a ProjectOrganization

ApplicationSoftware




Web-Presence

TeraGridNMI

21stCentury



• Educational Modules


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Gerhard Klimeck






Web-PresenceNano Research• Electronics• Mechanics• Bio

ResearchDeliverables•

•


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Gerhard Klimeck





ApplicationSoftware



Web-Presence

TeraGridNMI

21stCentury



• Educational ModulesPost-Docs:Purdue:AhmedHeitzingerPradaLiangPartners:G. Li

S/W ExpertsPurdue:McLennanKearnySwaroopClark2xStudents

S/W,H/WExpertsPurdue:GoasguenColby, Stewart,Kennell,Xu, 4 studentsPartners: 2 faculty, 1 staff, 1 student

Web/ContentAdmin.CychoszRiceStephanFleenerMadhavan2 x Students

Admin.ProfessionalsPotrawskiJohnssonHainesFleener2 x students

Project, not Research Work

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Gerhard Klimeck



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Gerhard Klimeck



Tool Index

1,000 users since 1996

25 new interactive toolssince May 2005

Now >3,500 users 09/2006

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Gerhard Klimeck



FETToy tool information

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Gerhard Klimeck



FETToy tool

Tool Tips!Put your cursor over the item and amore elaborate description pops up

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Gerhard Klimeck



FETToy tool

Tool Tips!

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Gerhard Klimeck



FETToy - default simulation

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Gerhard Klimeck



Changing Environmental Variables

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Gerhard Klimeck



Temperature - an interactive menu

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Gerhard Klimeck



Lowering the temperature

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Lowering the temperature again

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Gerhard Klimeck



Interactively comparing results

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Gerhard Klimeck



Interactive Simulation on the nanoHUB

•Access to simulation toolsEducation:

PN junction,MOSFET,MOSCAP,RTDs,CNTbands,QDs

Research:Schred,Bandstructure Lab,PADRE,nanoMOS,nanowire

•Access to disseminationand outreachinteractive lectures

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Gerhard Klimeck



Learning Modules:A Modular Content Arrangement

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Gerhard Klimeck



Interactive Lectures

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Gerhard Klimeck



Self-Paced Interactive LearningnanoHUB Learning Modules

9 Learning Modules1315 users

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Gerhard Klimeck



Sampling of Lecture Material

Nano 101•Mark Ratner - “A gentle Introduction to Nanotechnology” 716 users•Mark Hersam - “Intro to Nanometer Scale Science and Techn.” 494 users•Mark Lundstrom - “Moore’s Law Forever?” 191 users

Nano 501•Supriyo Datta - “A Bottom-Up View” 552 users•Gerhard Klimeck - “Bandstructure in Nanoelectronics” 660 users•Ashraf Alam - “On Reliability …” 193 users

Research Seminars•Shekar Borkar - “The future of Moore’s Law” 83 users

Learning Modules•Mark Lundstrom - “Ballistic Nano Transistors” 485 users

Complete Classes•Supriyo Datta - undergraduate and graduate class on NEGF >2000 user

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Gerhard Klimeck



Annual nanoHUB Usage is Exploding

Simulation users with at least one simulation> 3,500 users> 94,000 simulations (Sept. 2006)

Interactive simulations introducedin April 2005 => 3x increase

Total users = Simulation users + an IP with >15 minute session time> 16,200 users> 3.6 hrs avg session time / user

Interactive presentations introducedin August 2003 => 15x increase

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Gerhard Klimeck



Annual nanoHUB Usage is Exploding

> 20 tools released last year> 30 more in nanoFORGE queue

How is this possible?⇒Rappture toolkit⇒Workspaces inside a browser

> 250 contributors> 40 % outside of NCN

How is this possible?⇒self-serve nanoHUB

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Gerhard Klimeck



Publish simulation tools

Your simulator,written in any ofthese languages…

…available to anyone with a web browser

Bring the power of computing…

…to the classroom…to the laboratory…to the masses

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Gerhard Klimeck



Rappture toolkit

RapptureRuntime

Produces GraphicalUser Interfaces that

look like this

Automatically!

Physics Code

Researcher

<XML> RapptureTool Description

<group id="env"> <number id="temperature"> <about> <label>Ambient temperature</label> </about> <units>K</units> <min>0</min> <default>300K</default> </number> ...

Rappture Rapid Application Infrastructure toolkit www.rappture.org

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Gerhard Klimeck



Multidisciplinary Researchsome personal views

•Why multidisciplinary research?The societal knowledge has grown to such an extreme that a single personcannot know “everything”.True impact can be achieved by cross-linking knowledge in different areas

•A good multidisciplinary team:Has a few multidisciplinary members - people that know a little in many fieldsHas many specialized members - people that know a lot in a single fieldIs a TEAM: each member makes the success of the others his/her goal!

•Some dangers of multidisciplinary work:Contributions of an individual are not clearly identifyableMakes promotions and tenure process harderWhat am I: electrical engineer? Physicist? Computer Scientist? Neither of them?

Multidisciplinary research without specialized members is in the danger of“pseudo-science”Science must be well-founded

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Gerhard Klimeck



Are you interested inmulti-disciplinary work?

•Are you interested inSoftware development?User interfaces?Computing hardware?Collaborative software?

Nanoelectronics?Nanomechanics?Nano-medical systems?

=> Join the nanoHUB team

why is nanotechnology multidisciplinary? a perspective of...

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