Why Is Nanotechnology Multidisciplinary? a Perspective of One EE

nanoHUB.org online simulations and more Network for Computational Nanotechnology (NCN) Presents Nano 101

Why is Nanotechnology Multidisciplinary? A perspective of one EE

Gerhard Klimeck Technical Director Network for Computational Nanotechnology

October 3, 2006

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

Gerhard Klimeck Network for Computational Nanotechnology 1 nanoHUB.org Why is Nanotechnology Multidisciplinary? online simulations and more 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 - NEMO .Why do we need simulation? .NEMO - an example of an industrial multi disciplinary research effort .What is atomistic bandstructure? •Another example Network for Computational Nanotechnology (NCN) and nanoHUB.org .Being of service to others .A project organization .On-line simulation .Interactive lectures .Real impact •Are you interested in nanoHUB.org?

Gerhard Klimeck Network for Computational Nanotechnology 2 What is nanotechnology?

(from Prof. Mildred Dresselhaus, MIT) 3 nanoHUB.org How big is a nanometer? online simulations and more

• 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 Gerhard Klimeck Network for Computational Nanotechnology 4 nanoHUB.org 10-2m 1 cm online simulations and more 10 mm Head of a pin 1,000,000 1-2 mm -3 nanometers= Ant 10 m 1 millimeter ~5 mm (mm) Microelectromechanical devices Dust mite 10-100 µm wide ~500 µm -4 0.1 mm

d 10 m l

r 100 µm o w

Fly ash o Human hair r c

~10-20 µm dia. i 10-50 µm dia. -5 0.01 mm M 10 m

e 10 µm h T

Red blood cells m u r t 1000

with white cell c 10-6m e nanometers= Red blood cells 2-5 µm dia. p s

1 micrometer

e Pollen grain l ( m) Assemble nanoscale b µ i s

i building blocks to make V functional devices, -7 0.1 m e.g., a photosynthetic d 10 m µ l r 100 nm reaction center with o integral semiconductor w

o storage n a -8 0.01 m N -8 µ 10 m Nanotube devices (C. Dekker) e 10 nm ~10 nm dia. h ATP synthesis T

-9 10 m 1 nanometer (nm)

DNA 10-10m 0.1 nm Quantum corral of 48 iron atoms on Carbon nanotube 2.5 nm dia. Atoms in silicon copper surface positioned one at a time ~2 nm diameter 0.2 nm spacing with an STM tip - Corral diameter 14 nm

Adapted from: NRC Report: Small Wonders, Endless Frontiers: Review of the National Nanotechnology Initiative (National Research Council, July 2002) Gerhard Klimeck Network for Computational Nanotechnology 5 nanoHUB.org Traditional Disciplines online simulations and more a personal perspective Dealing with Atoms: • Physics/Material Science: . Interests: Understanding how electrons and atomic cores interact . Geometries/Conditions: typically large in equilibrium • Chemistry: . Interests: Combining atoms to molecules to create new functionalities . Geometries/Conditions: typically large number of molecules of the same kind • Biology: . Interests: Empirical understanding of macro-molecules . Geometries/Conditions: very large molecules in solutions

Making Things Small • Electrical Engineering / Mechanical Engineering . Interests: small, fast, and no-so-hot computers . Geometries/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 transmitted . Conditions: Algorithms

Gerhard Klimeck Network for Computational Nanotechnology 6 nanoHUB.org How do the disciplines meet? online simulations and more Some examples

Computer Science/Engineering: New Information Representations!

Mechanical Engineers: Electrical Engineers: A small Resonator! A small transistor device!

Man-made structures Physicists: Biology: with nanometer dimensions Observable Sensing at the => ~100,000-1M Atoms quantum effects! bio-scale!

Chemists: Material Scientists: A very large molecule!! A new material!

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 function .Conditions: in non-equilibrium, experimental exploration simplified by simulation?

Gerhard Klimeck Network for Computational Nanotechnology 7 nanoHUB.org Nano in Traditional Electrical Engineering online simulations and more Moore’s Law

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

Gerhard Klimeck Network for Computational Nanotechnology 8 nanoHUB.org A Second Look at Moore’s Law online simulations and more Shrinking Device Sizes

Exponential performance increase: Moore’s Law for Lithography • Enabled by e2 •device miniaturization kT >> 2C •chip size increase e r

• Limited by: u t a

•Costs of fabrication e F

D 2 e2 kT << 2C

2-D Lithography feature h 1-D t w o

feature r 5-100 Å G

Gerhard Klimeck Network for Computational Nanotechnology 9 nanoHUB.org A Third Look at Moore’s Law online simulations and more Countable number of electrons

Exponential performance increase: • Enabled by e2 •device miniaturization kT >> 2C •chip size increase • Limited by: •Costs of fabrication •Discrete atoms/electrons

e2 kT << 2C

2-D Lithography feature h 1-D t w o

feature r 5-100 Å G

Gerhard Klimeck Network for Computational Nanotechnology 10 nanoHUB.org A Third Look at Moore’s Law online simulations and more Countable number of electrons

Exponential performance increase: • Enabled by e2 •device miniaturization kT >> 2C •chip size increase • Limited by: •Costs of fabrication •Discrete atoms/electrons

e2 kT << 2C Quantum Dots • Artificial Atoms - Electron Boxes 2-D Lithography feature 1D Heterostructures h 1-D t • Lasers and detectors w o

feature r

• Fast electronic devices G 5-100 Å

Gerhard Klimeck Network for Computational Nanotechnology 11 nanoHUB.org Why is Nanotechnology Multidisciplinary? online simulations and more 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 - NEMO .Why do we need simulation? .NEMO - an example of an industrial multi disciplinary research effort .What is atomistic bandstructure? •Another example Network for Computational Nanotechnology (NCN) and nanoHUB.org .Being of service to others .A project organization .On-line simulation .Interactive lectures .Real impact •Are you interested in nanoHUB.org?

Gerhard Klimeck Network for Computational Nanotechnology 12 nanoHUB.org Simulation is Essential for online simulations and more Nanoscale Electron Devices

Hint from the Semiconductor Industry: • Moore’s law is really supported by simulation! • No new devices / circuits designed without Simulation software! Problems: • There are no nanoelectronic design tools! • Design space is huge • Choice of materials, shapes, orientations, dopings, heat anneals • Characterizations are incomplete and invasive / destructive Simulation Impact: • Aid Design. Fast, cost effective. -> Device performance already successful for 1-D quantum devices • Aid Characterization • Non-invasive, More accurate -> Structure and doping analysis Characterization Fabrication already successful for 1-D quantum devices

Gerhard Klimeck Network for Computational Nanotechnology 13 nanoHUB.org A Multidisciplinary Research Example online simulations and more NEMO at Texas Instruments 1994-98 Manager / Sales Person Computer Scientist / Engineer •We can build devices with atomic layer •We need new algorithms to enable the control that enable THz data fast computation of the new theory processing Software Engineer Electrical Engineer •We need a graphical user interface •We need a s/w to guide experiments Physicist / Electrical Engineer All of them •We need a fundamental transport •Need to understand some “nano” theory

Transport / Engineering

20/50/ 2

Quantum Mechanics / Physics

Gerhard Klimeck Network for Computational Nanotechnology 14 nanoHUB.org NEMO the fist Nanoelectronic TCAD Tool online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 15 nanoHUB.org Why is Nanotechnology Multidisciplinary? online simulations and more 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 - NEMO .Why do we need simulation? .NEMO - an example of an industrial multi disciplinary research effort .What is atomistic bandstructure? •Another example Network for Computational Nanotechnology (NCN) and nanoHUB.org .Being of service to others .A project organization .On-line simulation .Interactive lectures .Real impact •Are you interested in nanoHUB.org?

Gerhard Klimeck Network for Computational Nanotechnology 16 nanoHUB.org Bandstructure Basics online simulations and more Electron Conduction in Solids

Isolated Gas Atom s p p p Quantum Mechanics x y z Optical Transitions Coulomb Repulsion Physics Multiple Separated Atoms

Solid Regularly Ordered Transport Atoms conductivity, mobility Devices • Bands are channels in which electrons move “freely”.

Gerhard Klimeck Network for Computational Nanotechnology 17 nanoHUB.org Bandstructure Engineering Basics online simulations and more (page 1 of 2)

Chain of identical “blue” atoms Chain of identical “yellow” atoms Different Atoms y g r e n

E Different • • • • • • • Bandalignments • • • • • • • thickness/growth Misaligned Bands Chain of “blue” and “yellow” atoms

• • • • • • • • • • • • • • • • • • •

Layers with different band alignments • • • • • • • • •

• • • • • • • • • • Gerhard Klimeck Network for Computational Nanotechnology 18 nanoHUB.org Bandstructure Engineering Basics online simulations and more (page 2 of 2)

Resonance Energies / Eigenvalues

Barriers and Wells Wave Functions / Eigenstates

Layers with different band alignments • • • • • • • • •

• • • • • • • • • • Gerhard Klimeck Network for Computational Nanotechnology 19 nanoHUB.org Transitions / Transport Controlled by Design online simulations and more A Plethora of Capabilities

Photon Photon Absorption Emission Tunneling

Detectors Lasers Logic / Memory

Resonant Quantum Well Quantum Cascade Tunneling Infrared Detector Laser Diode

Gerhard Klimeck Network for Computational Nanotechnology 20 nanoHUB.org Basic Operation of a online simulations and more Resonant Tunneling Diode t n e r r u C

12 different I-V curves: 2 wafers, 3 mesa sizes, 2 bias directions Voltage 50nm 1e18 InGaAs 7 ml nid InGaAs 7 ml nid AlAs Conduction band diagrams 20 ml nid InGaAs for different voltages 7 ml nid AlAs and the resulting current flow. 7 ml nid InGaAs 50 nm 1e18 InGaAs

Gerhard Klimeck Network for Computational Nanotechnology 21 nanoHUB.org Bandstructure Basics online simulations and more Electron Conduction in Solids

• Crystal is not symmetric in all directions!

Regularly Ordered Atoms

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

Gerhard Klimeck Network for Computational Nanotechnology 22 nanoHUB.org Bandstructure Basics online simulations and more Electron Conduction in Solids

• Crystal is not symmetric in all directions! • Orbitals on each atom give electrons different directional behavior! Regularly Ordered Atoms

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

Gerhard Klimeck Network for Computational Nanotechnology 23 nanoHUB.org Connecting Concepts to Engineering online simulations and more

Atomistic Basis Sets t n e r r u

C Concepts

Voltage

s p p p x y z 5x d 2x spin • • • • • • • • • • • Usually considered a device This is also a new material!

Empirical Tight Binding makes the connection between Quantitative Engineering: Design, Analysis, Synthesis materials and devices!

Gerhard Klimeck Network for Computational Nanotechnology 24 .

. nanoHUB.org Testmatrix-Based Veriﬁcation (room temperature) Strained InGaAs/AlAs 4 Stack RTD with Asymmetric Barrier Variation online simulations and more

Vary One Barrier Thickness

W W W AlAs AlAs InGaAs InGaAs InGaAs

Four increasingly asymmetric devices: 20/50/20 Angstrom 20/50/23 Angstrom 20/50/25 Angstrom 20/50/27 Angstrom

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

Gerhard Klimeck Network for Computational Nanotechnology 25 nanoHUB.org Why is Nanotechnology Multidisciplinary? online simulations and more 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 - NEMO .Why do we need simulation? .NEMO - an example of an industrial multi disciplinary research effort .What is atomistic bandstructure? •Another example Network for Computational Nanotechnology (NCN) and nanoHUB.org .Being of service to others .A project organization .On-line simulation .Interactive lectures .Real impact •Are you interested in nanoHUB.org?

Gerhard Klimeck Network for Computational Nanotechnology 26 NCN Network for Computational Nanotechnology

• Community building • Simulation software • Science applications • Remote access – Model resource – Electronics • Collaboration – Computer resource – Electromechanics • Education – Simple interface – Bio • “typical” Web-presence • On-line simulation

WWW Graphical User Interface

Academics, Professional, Middleware Teachers, Hardware and Software Management K-12 Students ApplicationsApplicationsApplicationsApplications Applications NCN Norfolk State University - Northwestern University - Purdue University - Stanford University - University of Florida - University of Illinois - University of Texas at El Paso 27 NCN Network for Computational Nanotechnology

WWW Graphical User Interface Last 12 months:

>16,000 total users Middleware >3,500 simulation users Hardware and Software Management >94,000 jobs ApplicationsApplicationsApplicationsApplications >30 tools Applications NCN Norfolk State University - Northwestern University - Purdue University - Stanford University - University of Florida - University of Illinois - University of Texas at El Paso 28 nanoHUB.org The NCN as a Project online simulations and more Organization

Gerhard Klimeck Network for Computational Nanotechnology 29 nanoHUB.org The NCN as a Project Organization online simulations and more

Nano Web-Presence Admin. Research •Budget • Electronics Content •Reports • Mechanics Management •Events • Bio • Courses •Highlights • Homeworks Research • Tutorials Deliverables • Debates • • Calendar • Collaboration •

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

Gerhard Klimeck Network for Computational Nanotechnology 30 nanoHUB.org The NCN as a Project online simulations and more Organization

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

Gerhard Klimeck Network for Computational Nanotechnology 31 nanoHUB.org The NCN as a Project Organization online simulations and more

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

Gerhard Klimeck Network for Computational Nanotechnology 32 nanoHUB.org The NCN as a Project Organization online simulations and more Project, not Research Work

Nano Web-Presence Admin. Research •Budget • Electronics On-line Simulation Content •Reports • Mechanics Management •Events • Bio Application Web-Enabled • Courses •Highlights Software Middleware • Homeworks Research • Tutorials Deliverables 21st TeraGrid • Debates • Simulation Century NMI • Calendar Tools • Collaboration • Educational Modules Post-Docs: S/W Experts S/W,H/W Web/Content Admin. Purdue: Purdue: Ahmed McLennan Experts Admin. Professionals Heitzinger Kearny Purdue: Cychosz Potrawski Prada Swaroop Goasguen Rice Johnsson Liang Clark Colby, Stewart, Stephan Haines Partners: 2xStudents Kennell, Fleener Fleener G. Li Xu, 4 students Madhavan 2 x students Partners: 2 x Students 2 faculty, 1 staff, 1 student

Gerhard Klimeck Network for Computational Nanotechnology 33 nanoHUB.org nanoHUB.org online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 34 nanoHUB.org Tool Index online simulations and more

1,000 users since 1996

25 new interactive tools since May 2005

Now >3,500 users 09/2006

Gerhard Klimeck Network for Computational Nanotechnology 35 FETToy tool information nanoHUB.org online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 36 nanoHUB.org FETToy tool online simulations and more

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

Gerhard Klimeck Network for Computational Nanotechnology 37 nanoHUB.org FETToy tool online simulations and more

Tool Tips!

Gerhard Klimeck Network for Computational Nanotechnology 38 nanoHUB.org FETToy - default simulation online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 39 nanoHUB.org Changing Environmental Variables online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 40 nanoHUB.org Temperature - an interactive menu online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 41 nanoHUB.org Lowering the temperature online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 42 nanoHUB.org Lowering the temperature again online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 43 nanoHUB.org Interactively comparing results online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 44 nanoHUB.org Interactive Simulation on the nanoHUB online simulations and more •Access to simulation tools .Education: PN junction, MOSFET, MOSCAP, RTDs, CNTbands, QDs .Research: Schred, Bandstructure Lab, PADRE, nanoMOS, nanowire •Access to dissemination and outreach .interactive lectures

Gerhard Klimeck Network for Computational Nanotechnology 45 nanoHUB.org Learning Modules: online simulations and more A Modular Content Arrangement

Gerhard Klimeck Network for Computational Nanotechnology 46 nanoHUB.org Interactive Lectures online simulations and more

Gerhard Klimeck Network for Computational Nanotechnology 47 nanoHUB.org Self-Paced Interactive Learning online simulations and more nanoHUB Learning Modules

9 Learning Modules 1315 users

Gerhard Klimeck Network for Computational Nanotechnology 48 nanoHUB.org Sampling of Lecture Material online simulations and more 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

Gerhard Klimeck Network for Computational Nanotechnology 49 nanoHUB.org Annual nanoHUB Usage is Exploding online simulations and more

Simulation users Total users = Simulation users + with at least one simulation an IP with >15 minute session time > 3,500 users > 16,200 users > 94,000 simulations (Sept. 2006) > 3.6 hrs avg session time / user

Interactive simulations introduced Interactive presentations introduced in April 2005 => 3x increase in August 2003 => 15x increase

Gerhard Klimeck Network for Computational Nanotechnology 50 nanoHUB.org Annual nanoHUB Usage is Exploding online simulations and more

> 20 tools released last year > 250 contributors > 30 more in nanoFORGE queue > 40 % outside of NCN

How is this possible? How is this possible? ⇒Rappture toolkit ⇒self-serve nanoHUB ⇒Workspaces inside a browser

Gerhard Klimeck Network for Computational Nanotechnology 51 nanoHUB.org Publish simulation tools online simulations and more

Your simulator, …available to anyone with a web browser written in any of these languages…

Bring the power of computing…

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

Gerhard Klimeck Network for Computational Nanotechnology 52 nanoHUB.org Rappture toolkit online simulations and more

Rappture  Rapid Application Infrastructure toolkit www.rappture.org

Researcher

Rappture Tool Description

Physics Code

Rappture Runtime Ambient temperature ProducesK Graphical 0 300 KInterfaces that look like this ... Automatically!

Gerhard Klimeck Network for Computational Nanotechnology 53 nanoHUB.org Multidisciplinary Research online simulations and more some personal views •Why multidisciplinary research? .The societal knowledge has grown to such an extreme that a single person cannot 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 fields .Has many specialized members - people that know a lot in a single field .Is 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 identifyable Makes promotions and tenure process harder What 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

Gerhard Klimeck Network for Computational Nanotechnology 54 nanoHUB.org Are you interested in online simulations and more multi-disciplinary work? •Are you interested in .Software development? .User interfaces? .Computing hardware? .Collaborative software?

.Nanoelectronics? .Nanomechanics? .Nano-medical systems?

=> Join the nanoHUB team

Gerhard Klimeck Network for Computational Nanotechnology 55