IWCN 2021: International Workshop on Computational Nanotechnology

By Mincheol Shin (organizer)1; Sung-Min Hong (organizer)2; Yong-Hoon Kim (organizer)3; Jiwon Chang (organizer)4; Hoon Ryu5

1. Electrical Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, Republic of Korea 2. Gwangju Institute of Science and Technology (GIST), Gwangju, Republic of Korea 3. Electrical Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, Republic of Korea 4. System & Semiconductor Engineering, Yonsei University, Seoul, Republic of Korea 5. Korea Institute of Science and Technology Information (KISTI), Seoul, Republic of Korea

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Abstract

The International Workshop on Computational Nanotechnology (IWCN) is the 21st in the series of International Workshops, until 2015 titled "Computational Electronics" and changed to "Computational Nanotechnology" in 2017. The new name, IWCN, reflects the longstanding aim of the Workshop to generate interdisciplinary research and collaboration in solid-state materials and device simulation, and the increasingly dominant presence of nanoscale structures and devices in high performance electronics and photonics.

Topics include simulations of electronic, optical and mechanical properties of nanostructures; simulations of electronic, thermal, spin and molecular transport processes; multiscale and multiphysics simulations; computational design and evaluation of engineered nanomaterials and nanostructures; simulation of nanodevice processing and performance; first-principles/quantum/semiclassical/TCAD modeling and simulations of nano materials and devices.

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Researchers should cite this work as follows:

  • Mincheol Shin, Sung-Min Hong, Yong-Hoon Kim, Jiwon Chang, Hoon Ryu (2021), "IWCN 2021: International Workshop on Computational Nanotechnology," https://nanohub.org/resources/35276.

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  1. computational electronics
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In This Workshop

  1. IWCN 2021: Thermoelectric Properties of Complex Band and Nanostructured Materials

    Online Presentations | 14 Jul 2021 | Contributor(s): Neophytos Neophytou, Patrizio Graziosi, Vassilios Vargiamidis

    In this work, we describe a computational framework to compute the electronic and thermoelectric transport in materials with multi-band electronic structures of an arbitrary shape by coupling density function theory (DFT) bandstructures to the Boltzmann Transport Equation (BTE).

  2. IWCN 2021: Computational Research of CMOS Channel Material Benchmarking for Future Technology Nodes: Missions, Learnings, and Remaining Challenges

    Online Presentations | 15 Jul 2021 | Contributor(s): raseong kim, Uygar Avci, Ian Alexander Young

    In this preentation, we review our journey of doing CMOS channel material benchmarking for future technology nodes. Through the comprehensive computational research for past several years, we have successfully projected the performance of various novel material CMOS based on rigorous physics...

  3. IWCN 2021: A Practical Peierls Phase Recipe for Periodic Atomistic Systems Under Magnetic Fields

    Online Presentations | 14 Jul 2021 | Contributor(s): Alessandro Cresti

    In this contribution I will provide general ready-to-use formulas to determine Peierls phase factors that preserve the translation symmetry of any periodic quasi-one-dimensional or two-dimensional system under a homogeneous magnetic field.

  4. IWCN 2021: Recursive Open Boundary and Interfaces Method for Material Property Predictions

    Online Presentations | 14 Jul 2021 | Contributor(s): James Charles, Sabre Kais, Tillmann Christoph Kubis

    In this presentation, we show that assuming periodicity elevates a small perturbation of a periodic cell into a strong impact on the material property prediction. Periodic boundary conditions can be applied on truly periodic systems only. More general systems should apply an open boundary...

  5. IWCN 2021: Multiscale Modeling and Simulation of Advanced Photovoltaic Devices

    Online Presentations | 14 Jul 2021 | Contributor(s): Yongjie Zou, Reza Vatan Meidanshahi, Raghuraj Hathwar, Stephen M. Goodnick

    The introduction of new materials, device concepts and nanotechnology-based solutions to achieve high efficiency and low cost in photovoltaic (PV) devices requires modeling and simulation well beyond the current state of the art. New materials and heterojunction interfaces require atomistic...

  6. IWCN 2021: Ab initio Quantum Transport Simulation of Lateral Heterostructures Based on 2D Materials: Assessment of the Coupling Hamiltonians

    Online Presentations | 14 Jul 2021 | Contributor(s): Adel Mfoukh, Marco Pala

    Lateral heterostructures based on lattice-matched 2D materials are a promising option to design efficient electron devices such as MOSFETs [1], tunnel-FETs [2] and energy-filtering FETs [3]. In order to rigorously describe the transport through such heterostructures, an ab-initio approach based...

  7. IWCN 2021: Simulation of Ballistic Spin-MOSFET Devices with Ferromagnetic Channels

    Online Presentations | 15 Jul 2021 | Contributor(s): Patrizio Graziosi, Neophytos Neophytou

    In this work, using the semiclassical top-of-the-barrier FET model, and a spin dependent contact resistance model derived from, we explore the operation of a spin-MOSFET that utilizes such ferromagnetic semiconductors as channel materials, in addition to ferromagnetic source/drain contacts.

  8. IWCN 2021: Density Functional Theory Modeling of Chemical Reactions at Interfaces

    Online Presentations | 15 Jul 2021 | Contributor(s): Namita Narendra, Jessica Wang, James Charles, Tillmann Christoph Kubis

    In this work, we introduce a DFT-based method to predict energies of solute molecules in bulk solution and in various distances to solvent/air interfaces. The solute and all solvent molecules (~1400 atoms) are explicitly considered, and their electrons solved self-consistently in density...

  9. IWCN 2021: Electronic States in 4H-SiC MOS Inversion Layers Considering Crystal Structure Using Empirical Pseudopotential Method

    Online Presentations | 15 Jul 2021 | Contributor(s): Sachika Nagamizo, Hajime Tanaka, Nobuya Mori

    In this study, to analyze the electronic states in 4H-SiC MOS inversion layers taking account of this feature, we described the crystal structure of 4H-SiC including the internal channel space using the empirical pseudopotential method, and we calculated the electronic states in the triangular...

  10. IWCN 2021: Quantum Transport Simulation on 2D Ferroelectric Tunnel Junctions

    Online Presentations | 15 Jul 2021 | Contributor(s): Eunyeong Yang, Jiwon Chang

    In this work, we consider a simple asymmetric structure of metal-ferroelectric-metal (MFM) FTJs with two different ferroelectric materials, Hf0.5Zr0.5O2(HZO) and CuInP2S6(CIPS), respectively. To investigate the performance of FTJs theoretically, we first explore complex band structures of HZO...

  11. IWCN 2021: Interfacial Trap Effects in InAs Gate-all-around Nanowire Tunnel Field- Effect Transistors: First-Principles-Based Approach

    Online Presentations | 15 Jul 2021 | Contributor(s): Hyeongu Lee, SeongHyeok Jeon, Cho Yucheol, Mincheol Shin

    In this work, we investigated the effects of the traps, Arsenic dangling bond (AsDB) and Arsenic anti-site (AsIn) traps, in InAs gate-all-around nanowire TFETs, using the trap Hamiltonian obtained from the first-principles calculations. The transport properties were treated by nonequilibrium...

  12. IWCN 2021: How to Preserve the Kramers-Kronig Relation in Inelastic Atomistic Quantum Transport Calculations

    Online Presentations | 15 Jul 2021 | Contributor(s): Daniel Alberto Lemus, James Charles, Tillmann Christoph Kubis

    The nonequilibrium Green’s function method (NEGF) is often used to predict quantum transport in atomically resolved nanodevices. This yields a high numerical load when inelastic scattering is included. Atomistic NEGF had been regularly applied on nanodevices, such as nanotransistors....

  13. IWCN 2021: Effective Monte Carlo Simulator of Hole Transport in SiGe alloys

    Online Presentations | 25 Jul 2021 | Contributor(s): Caroline dos Santos Soares, Alan Rossetto, Dragica Vasileska, Gilson Wirth

    In this work, an Ensemble Monte Carlo (EMC) transport simulator is presented for simulation of hole transport in SiGe alloys.