NEMO5, a Parallel, Multiscale, Multiphysics Nanoelectronics Modeling Tool

By Gerhard Klimeck

Electrical and Computer Engineering, Purdue University, West Lafayette, IN

Published on

Abstract

The downscaling of electronic devices has reached the range where the number of atoms in critical dimensions is countable, geometries are formed in three dimensions and new materials are being introduced. Under these conditions one can argue that the overall geometry constitutes a new material that cannot be found as such in nature and the distinction between new device and new material are blurry. The interactions of electronic, photons, and lattice vibrations are now governed by these new material properties and longer-range interaction mechanisms such as strain and gate fields. The Nanoelectronic Modeling tool suite NEMO5 is aimed to comprehend the critical multi-scale, multi-physics phenomena and deliver results to engineers, scientists, and students through efficient computational approaches. NEMO5’s general software framework easily includes any kind of atomistic model and is, insofar, able to compute atomistic strain, electronics band structures, charge density, current and potential, Schrödinger eigenvalues and wave-functions, phonon spectra, and non-equilibrium Green functions (NEGF) transport for a large variety of semiconductor materials and the software is entirely parallelized. We believe that such modeling capability is not available in any other modeling tool at this time.

The work conducted in the group spans a wide range of devices and concepts from work with the leading semiconductor industries on technologies for the sub 10nm transistors, over optical devices to improve lighting, to foundational device physics for quantum computing in Silicon. This presentation overviews various aspects of NEMO5 capabilities and interactions with academia and industry.

Bio

Gerhard Klimeck Gerhard Klimeck is the Reilly Director of the Center for Predictive Materials and Devices (c-PRIMED) and the Network for Computational Nanotechnology (NCN) and a Professor of Electrical and Computer Engineering at Purdue University. He guides the technical developments and strategies of nanoHUB.org which annually serves over 1.4 million visitors worldwide with on-line simulation, tutorials, and seminars.

He was previously with NASA/JPL and Texas Instruments leading the Nanoelectronic Modeling Tool development (NEMO). His work is documented in over 450 peer-reviewed journal and proceedings articles resulting in over 10,000 citations and a citation h-index of 52 on Google Scholar. He is a fellow of the IEEE, American Physical Society, and the Institute of Physics.

Credits

In collaboration with Michael Povolotskyi, Tillmann Kubis, James E. Fonseca, Bozidar Novakovic, Rajib Rahman, Tarek Ameen, James Charles, Junzhe Geng, Kaspar Haume, Yu He, Ganesh Hegde, Yuling Hsueh, Hesam Ilatikhameneh, Zhengping Jiang, SungGeun Kim, Daniel Lemus, Daniel Mejia, Kai Miao, Samik Mukherjee, Seung Hyun Park, Ahmed Reza, Mehdi Salmani, Parijat Sengupta, Saima Sharmin, Yaohua Tan, Archana Tankasala, Daniel Valencia, Evan Wilson

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Cite this work

Researchers should cite this work as follows:

  • Gerhard Klimeck (2016), "NEMO5, a Parallel, Multiscale, Multiphysics Nanoelectronics Modeling Tool," https://nanohub.org/resources/24932.

    BibTex | EndNote

Time

Location

Engineering Science Building, Rm 1001, University of California Santa Barbara, Santa Barbara, CA

Tags

NEMO5, a Parallel, Multiscale, Multiphysics Nanoelectronics Modeling Tool

  • NEMO5, a Parallel, Multiscale, Multiphysics Nanoelectronics Modeling Tool From Basic Physics to Real Devices and to Global Impact on nanoHUB.org 1. NEMO5, a Parallel, Multiscale,… 0
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  • NEMO5, a Parallel, Multiscale, Multiphysics Nanoelectronics Modeling Tool From Basic Physics to Real Devices and to Global Impact on nanoHUB.org 2. NEMO5, a Parallel, Multiscale,… 65.0316983650317
    00:00/00:00
  • Intel Roadmap 3. Intel Roadmap 81.281281281281281
    00:00/00:00
  • Today: non-planar 3D devices Better gate control! 4. Today: non-planar 3D devices B… 97.5975975975976
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  • Today: non-planar 3D devices Better gate control! 5. Today: non-planar 3D devices B… 131.33133133133134
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  • Today: non-planar 3D devices Better gate control! 6. Today: non-planar 3D devices B… 138.13813813813815
    00:00/00:00
  • Roadmap of finite atoms! 7. Roadmap of finite atoms! 150.81748415081748
    00:00/00:00
  • Single electron effects in today's transistors (2008) 8. Single electron effects in tod… 231.83183183183184
    00:00/00:00
  • Single atom transistors (2012) 9. Single atom transistors (2012) 265.09843176509844
    00:00/00:00
  • Challenges ahead on the road of ever cheaper transistors 10. Challenges ahead on the road o… 326.19285952619288
    00:00/00:00
  • Industrial Device Trends and Challenges 11. Industrial Device Trends and C… 363.76376376376379
    00:00/00:00
  • Outline 12. Outline 456.9235902569236
    00:00/00:00
  • In Nanoelectronics we need to think of atoms! 13. In Nanoelectronics we need to … 518.55188521855189
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  • Crystals are NOT isotropic 14. Crystals are NOT isotropic 552.81948615281954
    00:00/00:00
  • Bonds and Orbitals are NOT isotropic 15. Bonds and Orbitals are NOT iso… 575.57557557557561
    00:00/00:00
  • We usually throw all details away 16. We usually throw all details a… 605.271938605272
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  • NEMO 1-D Resonant Tunneling Diode Simulation Atomistic Representation is the Key! 17. NEMO 1-D Resonant Tunneling Di… 659.85985985985985
    00:00/00:00
  • Resonator State Quantization 18. Resonator State Quantization 751.85185185185185
    00:00/00:00
  • Resonator State Quantization Effects of Band Non-Parabolicity 19. Resonator State Quantization E… 795.362028695362
    00:00/00:00
  • Effects of Band Non-Parabolicity on I-V Characteristics 20. Effects of Band Non-Parabolici… 826.0593927260594
    00:00/00:00
  • Wave Attenuation in Barriers Single Parobolic Band 21. Wave Attenuation in Barriers S… 891.42475809142479
    00:00/00:00
  • Wave Attenuation in Barriers Coupled Bands 22. Wave Attenuation in Barriers C… 920.52052052052056
    00:00/00:00
  • Band Warping in Barriers Impact on I-V Characteristics 23. Band Warping in Barriers Impac… 938.304971638305
    00:00/00:00
  • Quantum Transport in non-parabolic, strained, and coupled bands 24. Quantum Transport in non-parab… 962.92959626292964
    00:00/00:00
  • State-of-the-art RTD Modeling and Simulation Knowledge 1998 / 2000 25. State-of-the-art RTD Modeling … 1057.9579579579579
    00:00/00:00
  • 4 Stack RTD with Well Width Variation 26. 4 Stack RTD with Well Width Va… 1077.2772772772773
    00:00/00:00
  • 4 Stack RTD with Well Width Variation 27. 4 Stack RTD with Well Width Va… 1092.0587253920587
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  • NEMO 1D Break Through Application to an extended contact device 28. NEMO 1D Break Through Applicat… 1137.7711044377711
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  • Can match experimental data! 29. Can match experimental data! 1229.7630964297632
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  • Reduction of External Coupling Domain 30. Reduction of External Coupling… 1282.6493159826493
    00:00/00:00
  • Multi-Domain Physics 31. Multi-Domain Physics 1304.371037704371
    00:00/00:00
  • NEMO Breakthrough: Simulation of extended RTDs 32. NEMO Breakthrough: Simulation … 1327.2939606272939
    00:00/00:00
  • Treatment of the Electron Reservoirs Typical Methods 33. Treatment of the Electron Rese… 1432.5325325325325
    00:00/00:00
  • Treatment of the Electron Reservoirs New Method 34. Treatment of the Electron Rese… 1507.640974307641
    00:00/00:00
  • NEMO Breakthrough: Simulation of extended RTDs 35. NEMO Breakthrough: Simulation … 1541.7083750417085
    00:00/00:00
  • Quantum-Charge-Selfconsistency and Series Resistance 36. Quantum-Charge-Selfconsistency… 1543.8104771438104
    00:00/00:00
  • 4 Stack RTD with Well Width Variation 37. 4 Stack RTD with Well Width Va… 1548.8822155488822
    00:00/00:00
  • Outline 38. Outline 1563.8972305638972
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  • Can we have both low VDD and low Ioff? 39. Can we have both low VDD and l… 1578.611945278612
    00:00/00:00
  • How to reduce the Subthreshold Swing 40. How to reduce the Subthreshold… 1620.3203203203204
    00:00/00:00
  • Expectation of Large Currents in GaN/InGaN Junctions 41. Expectation of Large Currents … 1632.8661995328662
    00:00/00:00
  • GaN/InN TFET 42. GaN/InN TFET 1660.7941274607942
    00:00/00:00
  • Large Currents in InGaN PN-Junctions 43. Large Currents in InGaN PN-Jun… 1679.4127460794127
    00:00/00:00
  • A Quantum Mechanical Look at the Density of States 44. A Quantum Mechanical Look at t… 1686.986986986987
    00:00/00:00
  • Physical reasoning and early implementations 45. Physical reasoning and early i… 1720.6873540206875
    00:00/00:00
  • 2015 Question: How important is the scattering? 46. 2015 Question: How important i… 1791.4581247914582
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  • 47. "Contact" treatment 1792.9262595929263
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  • 2015 Questions: 1) quantitative? 2) Less arbitrary? 48. 2015 Questions: 1) quantitativ… 1810.9776443109777
    00:00/00:00
  • Look at Experiments in PN Junctions! 49. Look at Experiments in PN Junc… 1812.9462796129465
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  • State-of-the-art Quantum Simulations Completely Fail! 50. State-of-the-art Quantum Simul… 1817.1504838171506
    00:00/00:00
  • Ballistic Approaches Cannot Handle Extended Contacts Well 51. Ballistic Approaches Cannot Ha… 1846.57991324658
    00:00/00:00
  • Ballistic Approaches Cannot Handle Extended Contacts Well 52. Ballistic Approaches Cannot Ha… 1857.3907240573908
    00:00/00:00
  • Critical Problem with Bound States 1) Empty, 2) Infinite lifetime 53. Critical Problem with Bound St… 1858.9589589589591
    00:00/00:00
  • EQNEQ Applied to a PN-Junction 54. EQNEQ Applied to a PN-Junction 1863.9973306639975
    00:00/00:00
  • EQNEQ Applied to a PN-Junction 55. EQNEQ Applied to a PN-Junction 1881.9152485819154
    00:00/00:00
  • EQNEQ Applied to Two Different PN-Junctions 56. EQNEQ Applied to Two Different… 1883.45011678345
    00:00/00:00
  • Better Model / Physics => Better Results 57. Better Model / Physics => Bett… 1902.1354688021356
    00:00/00:00
  • Seeking a steep Nitride TFET 58. Seeking a steep Nitride TFET 1904.9049049049049
    00:00/00:00
  • Outline 59. Outline 1921.9219219219219
    00:00/00:00
  • How to reduce the Subthreshold Swing 60. How to reduce the Subthreshold… 1933.0997664330998
    00:00/00:00
  • superlattice MOSFET 61. superlattice MOSFET 1961.1611611611613
    00:00/00:00
  • EqNeq model: Where should the boundary be? 62. EqNeq model: Where should the … 1984.8515181848516
    00:00/00:00
  • Effect of different broadening 63. Effect of different broadening 2017.3840507173841
    00:00/00:00
  • Effect of different broadening 64. Effect of different broadening 2027.560894227561
    00:00/00:00
  • Outline 65. Outline 2042.0086753420087
    00:00/00:00
  • Self-Assembled Quantum Dots Artificial Atoms 66. Self-Assembled Quantum Dots Ar… 2060.4604604604606
    00:00/00:00
  • How do we get QDs? -> Stranski-Krastanow Growth 67. How do we get QDs? -> Stranski… 2099.2992992992995
    00:00/00:00
  • Capping with Intermediate Alloy 68. Capping with Intermediate Allo… 2134.834834834835
    00:00/00:00
  • Quantitative Quantum Dot Modeling Optical TCAD – Optical Wave Length Tuning 69. Quantitative Quantum Dot Model… 2210.1101101101103
    00:00/00:00
  • Universal Behavior in strain in quantum dots 70. Universal Behavior in strain i… 2315.0817484150816
    00:00/00:00
  • Quantum Dot Lab on nanoHUB 71. Quantum Dot Lab on nanoHUB 2326.0593927260593
    00:00/00:00
  • Outline 72. Outline 2343.6436436436438
    00:00/00:00
  • GaN-based LED Design 73. GaN-based LED Design 2370.0033366700036
    00:00/00:00
  • GaN-based LED Design 74. GaN-based LED Design 2383.24991658325
    00:00/00:00
  • GaN-based LED Design 75. GaN-based LED Design 2426.1928595261929
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  • GaN-based LED Design 76. GaN-based LED Design 2427.9279279279281
    00:00/00:00
  • GaN-based LED Design 77. GaN-based LED Design 2430.3970637303973
    00:00/00:00
  • A Quantum Mechanical View - DOS 78. A Quantum Mechanical View - DO… 2471.7717717717719
    00:00/00:00
  • QM Density of States Local Band Edge is Misleading 79. QM Density of States Local Ban… 2506.2729396062732
    00:00/00:00
  • QM Density of States Discrete States – Distributed States 80. QM Density of States Discrete … 2533.9005672339008
    00:00/00:00
  • Distributed Density of States Distributed Charge Filling 81. Distributed Density of States … 2546.1795128461795
    00:00/00:00
  • Solution: Multi-Scale Physics = Device Partitioning = Matrix Partitioning 82. Solution: Multi-Scale Physics … 2603.8705372038708
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  • For Visualization / Intuition ONLY: Add the local band-edge 83. For Visualization / Intuition … 2616.54988321655
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  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 84. Local Reservoirs: HUGE Charge … 2629.1624958291627
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 85. Local Reservoirs: HUGE Charge … 2675.4754754754754
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  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 86. Local Reservoirs: HUGE Charge … 2680.0133466800135
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 87. Local Reservoirs: HUGE Charge … 2693.6269602936272
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 88. Local Reservoirs: HUGE Charge … 2715.5155155155157
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 89. Local Reservoirs: HUGE Charge … 2736.3363363363364
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 90. Local Reservoirs: HUGE Charge … 2757.7577577577576
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 91. Local Reservoirs: HUGE Charge … 2770.2702702702704
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 92. Local Reservoirs: HUGE Charge … 2785.6523189856525
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 93. Local Reservoirs: HUGE Charge … 2787.153820487154
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 94. Local Reservoirs: HUGE Charge … 2794.3943943943946
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 95. Local Reservoirs: HUGE Charge … 2809.342676009343
    00:00/00:00
  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 96. Local Reservoirs: HUGE Charge … 2811.2779446112781
    00:00/00:00
  • Photon Current Profile 97. Photon Current Profile 2813.5135135135138
    00:00/00:00
  • Current-Voltage Characteristic 98. Current-Voltage Characteristic 2835.1017684351018
    00:00/00:00
  • GaN LED Tool Development Summary 99. GaN LED Tool Development Summa… 2863.5301968635304
    00:00/00:00
  • Outline 100. Outline 2903.003003003003
    00:00/00:00
  • NEMO5 - Bridging the Scales From Ab-Initio to Realistic Devices 101. NEMO5 - Bridging the Scales Fr… 2911.3780447113782
    00:00/00:00
  • NEMO - Multi-Scale Modeling 102. NEMO - Multi-Scale Modeling 2951.7517517517517
    00:00/00:00
  • Quantum Transport far from Equilibrium 103. Quantum Transport far from Equ… 3026.9936603269939
    00:00/00:00
  • A Journey Through Nanoelectronics Tools NEMO and OMEN 104. A Journey Through Nanoelectron… 3115.1818485151821
    00:00/00:00
  • A Journey Through Nanoelectronics Tools NEMO and OMEN 105. A Journey Through Nanoelectron… 3125.9259259259261
    00:00/00:00
  • A Journey Through Nanoelectronics Tools NEMO and OMEN 106. A Journey Through Nanoelectron… 3136.7033700367033
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  • A Journey Through Nanoelectronics Tools NEMO and OMEN 107. A Journey Through Nanoelectron… 3145.5121788455122
    00:00/00:00
  • A Journey Through Nanoelectronics Tools NEMO and OMEN 108. A Journey Through Nanoelectron… 3155.3553553553556
    00:00/00:00
  • Core Code / Theory Development 109. Core Code / Theory Development 3194.9616282949619
    00:00/00:00
  • Thanks to 110. Thanks to 3228.4617951284617
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  • NEMO Agenda, Funding, and Leverage 111. NEMO Agenda, Funding, and Leve… 3236.3697030363696
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  • Broad Capability Overview 112. Broad Capability Overview 3261.1945278611947
    00:00/00:00
  • High Performance Computing with NEMO/OMEN 113. High Performance Computing wit… 3275.2419085752422
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  • High Performance Computing with NEMO/OMEN 114. High Performance Computing wit… 3305.9392726059396
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  • Basic Science 115. Basic Science 3319.4527861194529
    00:00/00:00
  • Broad Usage 116. Broad Usage 3323.8571905238573
    00:00/00:00
  • Thank You! 117. Thank You! 3369.3026359693026
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  • Local Reservoirs: HUGE Charge Density STRONG scattering, Quasi Fermi Levels 118. Local Reservoirs: HUGE Charge … 3433.2665999332667
    00:00/00:00
  • Effect of different broadening 119. Effect of different broadening 4129.0623957290627
    00:00/00:00