Self-energies: Opening Doors for Nanotechnology

By Tillmann Christoph Kubis

Network for Computational Nanotechnology, Purdue University, West Lafayette, IN

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Abstract

State of the art nanodevices have reached length scales in which a clear distinction of fundamental physics, material science and device engineering is not applicable. Reliable performance predictions of nanodevices have to embrace all these fields: coherent quantum mechanical effects such as tunneling, confinement and interferences, atomistic effects such as strain profiles, alloy compositions and interface relaxations, uncertainty effects such as incoherent scattering on phonons and device imperfections and electrostatic effects have all similarly strong impact on the nanodevice performances. Many of these aspects are described in different physical models and are characterized on different length scales.

In this talk, it will be shown how the concept of self-energies can be used to interface all these fields into the same nanotechnology modeling framework. Self-energies are most commonly used in the quantum transport method of nonequilibrium Green’s functions (NEGF). The NEGF method is widely accepted as the most consistent method for modeling coherent and incoherent effects. Given that this method allows for atomic resolution and the inclusion of strain effects, alloy disorder and electrostatics, it is most often used for charge, heat and spin transport in nanometer scaled systems. Nevertheless, it will be shown how self-energies can get used beyond NEGF. It is also part of this talk how self-energies can set nanotechnology into the context to solve 3 of mankind’s biggest challenges: shortage of energy, shortage of fresh water and the decline of world’s economy.

Bio

Tillmann Kubis Tillmann Kubis graduated to PhD at the Technische Universität München (Germany) in theoretical semiconductor physics in 2009. He is currently working as Research Assistant Professor in the network for computational nanotechnology of Purdue University. His work includes development and implementation of new algorithms in the framework of general quantum transport within the nonequilibrium Green’s function method. His algorithms are published in the academic open source semiconductor nanodevice modeling tool NEMO5. This code is used among many academic and industrial groups including Intel, Samsung, Lumileds, and TSMC. His research currently applies to electron and phonon transport, tight binding parameter extraction from density functional methods, spin transport with topological insulators and design optimizations of terahertz quantum cascade lasers and nitride based light emitting diodes.

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Researchers should cite this work as follows:

  • Tillmann Christoph Kubis (2016), "Self-energies: Opening Doors for Nanotechnology," http://nanohub.org/resources/23952.

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Location

1001 Wang, Purdue University, West Lafayette, IN

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Self-energies: Opening Doors for Nanotechnology
  • Self-energies: Opening Doors for Nanotechnology 1. Self-energies: Opening Doors f… 0
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  • Self-energies? Why would anyone care? 2. Self-energies? Why would anyon… 16.816816816816818
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  • 14 years of work on self-energies 3. 14 years of work on self-energ… 24.224224224224226
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  • Self-energies in the coming decades 4. Self-energies in the coming de… 45.679012345679013
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  • A change in the view of the world 5. A change in the view of the wo… 99.4994994994995
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  • Nanotechnology's potential 6. Nanotechnology's potential 191.22455789122458
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  • Nonequilibrium Green's functions (NEGF) 7. Nonequilibrium Green's functio… 229.46279612946282
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  • NEGF and self-energies Ʃ 8. NEGF and self-energies Ʃ 277.07707707707709
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  • 2 aspects of stationary NEGF 9. 2 aspects of stationary NEGF 311.1444778111445
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  • NEGF in the context of nanoelectronics 10. NEGF in the context of nanoele… 418.81881881881884
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  • NEGF in the context of nanoelectronics 11. NEGF in the context of nanoele… 452.28561895228563
    00:00/00:00
  • Self-energy work in München 12. Self-energy work in München 490.72405739072406
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  • Cascade devices: Field periodic leads 13. Cascade devices: Field periodi… 532.16549883216555
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  • Field periodic leads – impact on device DOS 14. Field periodic leads – impac… 608.641975308642
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  • Hot electrons – propagation in 2nd period 15. Hot electrons – propagation … 677.21054387721063
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  • New design concept for THz-QCLs 16. New design concept for THz-QCL… 814.3143143143144
    00:00/00:00
  • Result: Gain vs. Temperature 17. Result: Gain vs. Temperature 832.56589923256593
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  • Transition to Purdue 18. Transition to Purdue 911.04437771104438
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  • Most commonly used so far: periodic leads 19. Most commonly used so far: per… 930.33033033033041
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  • General iterative lead contact self-energy 20. General iterative lead contact… 974.4077410744078
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  • Verification: non-periodic leads 21. Verification: non-periodic lea… 1070.0700700700702
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  • Verification: transmission in random alloys 22. Verification: transmission in … 1137.8044711378045
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  • Verification: transmission in random alloys 23. Verification: transmission in … 1209.9766433099767
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  • Self energies beyond NEGF: Surface treatment 24. Self energies beyond NEGF: Sur… 1321.287954621288
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  • Si[100]/SiO2 interface structure models 25. Si[100]/SiO2 interface structu… 1397.530864197531
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  • Bandstructures with self-energies 26. Bandstructures with self-energ… 1429.9632966299635
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  • Comparison with experiment 27. Comparison with experiment 1464.7647647647648
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  • Today's greatest challenges for mankind: Fresh water 28. Today's greatest challenges fo… 1491.157824491158
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  • Known solutions for fresh water filtering 29. Known solutions for fresh wate… 1522.7894561227895
    00:00/00:00
  • New way to filter water: 2D nanopores 30. New way to filter water: 2D na… 1557.323990657324
    00:00/00:00
  • Vision to improve water nanofilter 31. Vision to improve water nanofi… 1600.1001001001002
    00:00/00:00
  • Vision to improve filtering: Nano-pump 32. Vision to improve filtering: N… 1658.6252919586254
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  • Connection to self-energies 33. Connection to self-energies 1705.9392726059393
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  • Today's greatest challenges for mankind: Energy 34. Today's greatest challenges fo… 1731.9986653319988
    00:00/00:00
  • Known solutions for sustained energy 35. Known solutions for sustained … 1760.6606606606608
    00:00/00:00
  • Vision for low frequency phonon-photon coupling 36. Vision for low frequency phono… 1781.081081081081
    00:00/00:00
  • Cooling with surface phonon-polaritons 37. Cooling with surface phonon-po… 1872.0720720720722
    00:00/00:00
  • Energy consistent scattering self-energies 38. Energy consistent scattering s… 1971.7384050717385
    00:00/00:00
  • Today's greatest challenges for mankind: End of Moore's law – impact on economy 39. Today's greatest challenges fo… 2008.5085085085086
    00:00/00:00
  • End of Moore's law closer than ever 40. End of Moore's law closer than… 2057.2572572572572
    00:00/00:00
  • Vision for Moore v2 – multivalued logic 41. Vision for Moore v2 – multiv… 2110.2769436102772
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  • Self-energies for device uncertainties 42. Self-energies for device uncer… 2228.6286286286286
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  • Efficient uncertainty quantification 43. Efficient uncertainty quantifi… 2260.6272939606274
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  • Connection to multi-valued logic 44. Connection to multi-valued log… 2315.4821488154821
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  • Patents and companies 45. Patents and companies 2328.6619953286622
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  • NEMO5:multipurpose nanodevice simulation tool 46. NEMO5:multipurpose nanodevice … 2384.9516182849516
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  • High performance computing 47. High performance computing 2413.58024691358
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  • Impact of work so far 48. Impact of work so far 2427.7610944277612
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  • Summary: Self-energies as door opener 49. Summary: Self-energies as door… 2457.424090757424
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  • NEMO5: Contributors 50. NEMO5: Contributors 2499.3660326993663
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