📜 Post with us on Reddit
📝 Create a new article
🏭 Create a company page
🇬🇧 - in English
🇫🇷 - en Français (FR)
🇵🇹 - em Português (PT)
🇩🇪 - auf Deutsch (DE)
🇯🇵 - 日本語で (JA)
Sponsored articles

You can edit almost every page by Creating an account and confirming your email.

Synopsys QuantumATK

From EverybodyWiki Bios & Wiki






OK, thanks - we'll see what we can do with the suggestions.

Simpleware wiki (talk) 16:47, 8 January 2021 (UTC)

Synopsys QuantumATK
Developer(s)Synopsys
Stable release
R-2020.09 / 7 September 2020; 5 years ago (2020-09-07)
Engine
    Operating systemWindows; Linux
    LicenseCommercial[1]
    Websitewww.synopsys.com/silicon/quantumatk.html

    Search Synopsys QuantumATK on Amazon.

    QuantumATK is atomistic simulation software used in applications such as semiconductor and materials science. The software was first developed by Quantumwise, including products such as Atomistix Toolkit and Atomistix Virtual NanoLab, and is now part of Synopsys, Inc.[2]

    Software features

    Calculators

    • DFT-PlaneWave: Simulation engine for DFT using pseudo-potentials and plane-wave basis sets.[3]
    • SemiEmpirical: Semi-empirical simulation engine using DFTB, extended Hückel, Slater-Koster, and other tight-binding models.[3]
    • NEGF: Module for nanoscale device and transport simulations using non-equilibrium Green’s function (NEGF) methodology.[4]
    • Surface Green’s Function: Module for modelling of surfaces beyond the slab approximation. Allows for treating electro-chemical reactions and surface states.[5]
    • ForceField: Simulation engine for atomic-scale simulations (e.g. molecular dynamics) using classical potentials.[6]

    GUI

    • NanoLab: Graphical user interface (GUI) for all QuantumATK calculators.[3] [6]
    • NanoLab Links: Module enabling NanoLab to interface other codes.[3]
    • Python scripting & automatization[3] [6]
    • Parallelization: distributed and threaded processing[3]

    Common modules

    • Ion dynamics: NVT, NPT, NVE ensembles with a range of different thermostats and barostats, geometry and reaction path optimization (NEB). [6]
    • Electron-Phonon interaction: Calculation of deformation potentials and conductivity/mobility tensor via the Boltzmann equation, Hall coefficient, Hall conductivity tensor, Seebeck coefficient and ZT. [3]
    • Poisson Solvers: Possibility to insert gates, dielectric regions or implicit solvent models in devices or periodic structures. Use of periodic, Dirichlet, Neumann or multipole boundary conditions. [3]
    • Property Calculations: Calculation of mechanical, electronic, magnetic, electrical and optical properties.[3]

    Types of systems

    • 2D and 3D materials (crystalline, polycrystalline, amorphous, alloys)[3] [6]
    • Interfaces[3] [4] [6]
    • Surfaces[5]
    • Electronic devices[3]
    • Nanostructures[3]
    • Molecules[3]

    Application areas

    Semiconductor Modeling

    QuantumATK is used in the semiconductor industry for atomic-scale modeling [7] of new materials and how they impact new semiconductor devices and processes before wafer-based data is available.[8] Some of the key applications in the semiconductor area include logic and memory interconnect stack engineering,[9] [10] [11] metal-semiconductor contact optimization,[12] [13] High-K Metal Gate (HKMG) stack engineering, transistor channel engineering,[14] 2D-material FET performance investigation,[3] [15] [16] spintronic memory (MRAM),[17] [18] [19] resistive RAM (ReRAM),[20] [21] ferroelectric RAM (FRAM)[22] design and surface process modeling.[6]

    Materials Modeling

    In the area of materials research, QuantumATK is used as part of the screening process of new materials for replacing or guiding experiments when selecting and optimizing materials in a product system.[23] A variety of material properties can be computed, including electronic, electro chemical, structural, optical, thermal, magnetic, mechanical, electronic and thermal transport, electron-phonon coupling, , piezoelectricity, and thermoelectricity and others for the applications of simulation of polymers [24] and composites,[25] [26] solar[27] [28] [29] and fuel cells,[30] hydrogen storage,[31] [32] catalysts, [5] [33] [34] batteries,[3] [35] [36] sensors,[37] [38] [39] metals,[6] [40] and semiconductors.[8]

    References

    1. ↑ "QuantumATK Trial Page". synopsys.com. Synopsys. Retrieved 10 September 2019.
    2. ↑ Murchison, Carole. "Synopsys Strengthens Design-Technology Co-Optimization Solution with Acquisition of QuantumWise". PR Newswire. Retrieved 26 August 2020.
    3. ↑ 3.00 3.01 3.02 3.03 3.04 3.05 3.06 3.07 3.08 3.09 3.10 3.11 3.12 3.13 3.14 3.15 3.16 Smidstrup, Søren; et al. (2020). "QuantumATK: an integrated platform of electronic and atomic-scale modelling tools". Journal of Physics: Condensed Matter. 32 (1): 015901. arXiv:1905.02794. Bibcode:2020JPCM...32a5901S. doi:10.1088/1361-648X/ab4007. PMID 31470430. Retrieved 10 November 2020. Unknown parameter |s2cid= ignored (help)
    4. ↑ 4.0 4.1 Stradi, D.; Martinez, U.; Blom, A.; Brandbyge, M.; Stokbro, K. (2016). "General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green's function". Phys. Rev. B. 93 (15): 155302. arXiv:1601.04651. Bibcode:2016PhRvB..93o5302S. doi:10.1103/PhysRevB.93.155302. Unknown parameter |s2cid= ignored (help)
    5. ↑ 5.0 5.1 5.2 >Smidstrup, S.; Stradi, D.; Wellendorff, J.; Khomyakov, P.A.; Vej-Hansen, U.G.; Lee, M.E.; Ghosh, T.; Jónsson, E.; Jónsson, H.; Stokbro, K. (2017). "First-principles Green's-function method for surface calculations: A pseudopotential localized basis set approach". Physical Review B. 96 (19): 195309. arXiv:1707.02141. Bibcode:2017PhRvB..96s5309S. doi:10.1103/PhysRevB.96.195309. Retrieved 10 November 2020. Unknown parameter |s2cid= ignored (help)
    6. ↑ 6.0 6.1 6.2 6.3 6.4 6.5 6.6 6.7 >Schneider, J.; Hamaekers, J.; Chill, S.T.; Smidstrup, S.; Bulin, J.; Thesen, R.; Blom, A.; Stokbro, K. (2017). "ATK-ForceField: a new generation molecular dynamics software package". Modelling and Simulation in Materials Science and Engineering. 25 (85007): 085007. arXiv:1701.02495. Bibcode:2017MSMSE..25h5007S. doi:10.1088/1361-651X/aa8ff0. Unknown parameter |s2cid= ignored (help)
    7. ↑ "QuantumATK - Atomistic Simulation Software". Synopsys. Retrieved 12 November 2020.
    8. ↑ 8.0 8.1 "QuantumATK for Semiconductor Modeling". Synopsys. Retrieved 12 November 2020.
    9. ↑ Philip, T.M.; Lanzillo, N.A; Gunst, T.; Markussen, T.; Cobb, J.; Aboud, S.; Robison, R.R. (2020). "First principles evaluation of fcc ruthenium for its use in advanced interconnect". Physical Review Applied. 13 (4): 044045. arXiv:2001.02216. Bibcode:2020PhRvP..13d4045P. doi:10.1103/PhysRevApplied.13.044045. Unknown parameter |s2cid= ignored (help)
    10. ↑ Lanzillo, N.A.; Briggs, B.D.; Robison, R.R.; Standaert, T.; Lavoie, C. (15 February 2019). "Electron transport across Cu/Ta(O)/Ru(O)/Cu interfaces in advanced vertical interconnects". Computational Materials Science. 158: 398–405. doi:10.1016/j.commatsci.2018.11.040. Retrieved 12 November 2020.
    11. ↑ Singh, D.; et al. (2018). "Bottom-up methodology for predictive simulations of self-heating in aggressively scaled process technologies". 2018 IEEE International Reliability Physics Symposium (IRPS). Proceedings: 6F.6-1-6F.6-7. doi:10.1109/IRPS.2018.8353650. ISBN 978-1-5386-5479-8. Retrieved 12 November 2020. Unknown parameter |s2cid= ignored (help)
    12. ↑ Dixit, Hemant; Chengyu, R.; Raymond, M.; Pandey, R.K.; Konar, A.; Carr, A.V.; Oldiges, P.; Adusumilli, P.; Lanzillo, N.; Miao, X.; Bahu, B.; Benistant, F. (September 2017). "First-Principles Investigations of TiGe/Ge Interface and Recipes to Reduce the Contact Resistance". IEEE Transactions on Electron Devices. 64 (9): 3775–3780. Bibcode:2017ITED...64.3775D. doi:10.1109/TED.2017.2732063. Retrieved 13 November 2020. Unknown parameter |s2cid= ignored (help)
    13. ↑ Pourtois, G.; Dabral, A.; Sankaran, K.; Magnus, W.; Yu, H.; Meux, A.J.D.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Houssa, M.; Collaert, N.; Horiguchi, N. (16 Aug 2017). "(Invited) Probing the Intrinsic Limitations of the Contact Resistance of Metal/Semiconductor Interfaces through Atomistic Simulations". ECS Transactions. 80 (1): 303. Bibcode:2017ECSTr..80a.303P. doi:10.1149/08001.0303ecst. Retrieved 13 November 2020.
    14. ↑ Park, Y.; Zechner, C.; Oh, Y.; Kim, H.; Martin-Bragado, I.; Bazizi, E.M.; Benistant, F. (2017). "Dopant diffusion in Si, SiGe and Ge : TCAD model parameters determined with density functional theory". Proceedings: 2017 IEEE International Electron Devices Meeting (IEDM). (2017 IEEE International Electron Devices Meeting (IEDM)): 35.3.1–35.3.4. doi:10.1109/IEDM.2017.8268500. ISBN 978-1-5386-3559-9. Unknown parameter |s2cid= ignored (help)
    15. ↑ Lu, A.K.A.; Pourtois, G.; Agarwal, T.; Afzalian, A.; Radu, I.P.; Houssa, M. (26 January 2016). "Origin of the performances degradation of two-dimensional-based metal-oxide-semiconductor field effect transistors in the sub-10nm regime: A first-principles study". Applied Physics Letters. 108 (4): 043504. Bibcode:2016ApPhL.108d3504L. doi:10.1063/1.4940685. Retrieved 16 November 2020.
    16. ↑ Li, H.; Lu, J. (28 January 2019). "Sub-10 nm vertical tunneling transistors based on layered black phosphorene homojunction". Applied Surface Science. 465: 895–901. Bibcode:2019ApSS..465..895L. doi:10.1016/j.apsusc.2018.09.242. Retrieved 16 November 2020.
    17. ↑ Lanzillo, N.A.; Robison, R.R. (2019). "A Materials Screening Methodology for Scaled Non-Volatile Memory in the AI Era". 2019 IEEE Albany Nanotechnology Symposium (ANS): 1–4. doi:10.1109/ANS47466.2019.8963744. ISBN 978-1-7281-3870-1. Retrieved 16 November 2020. Unknown parameter |s2cid= ignored (help)
    18. ↑ Masuda, K.; Miura, Y. (2017). "Bias voltage effects on tunneling magnetoresistance in Fe/MgAl2O4/Fe(001) junctions: Comparative study with Fe/MgO/Fe(001) junctions". Phys. Rev. B. 96 (5): 054428. arXiv:1704.01401. Bibcode:2017PhRvB..96e4428M. doi:10.1103/PhysRevB.96.054428. Retrieved 16 November 2020. Unknown parameter |s2cid= ignored (help)
    19. ↑ Sankaran, K.; Swerts, J.; Couet, S.; Stokbro, K.; Pourtois, G. (20 September 2016). "Oscillatory behavior of the tunnel magnetoresistance due to thickness variations in Ta CoFe MgO magnetic tunnel junctions: A first-principles study". Physical Review B. 94 (9): 094424. Bibcode:2016PhRvB..94i4424S. doi:10.1103/PhysRevB.94.094424. hdl:10067/1371220151162165141. Retrieved 16 November 2020.
    20. ↑ Shukla, N.; Ghosh, B.; Grisafe, S.; Datta, S. (25 January 2018). "Fundamental mechanism behind volatile and non-volatile switching in metallic conducting bridge RAM". 2017 IEEE International Electron Devices Meeting (IEDM): 4.3.1–4.3.4. doi:10.1109/IEDM.2017.8268325. ISBN 978-1-5386-3559-9. Retrieved 17 November 2020. Unknown parameter |s2cid= ignored (help)
    21. ↑ Pandey, S.C. (4 January 2018). "Atomistic mechanisms of ReRAM cell operation and reliability". Materials Research Express. 5 (1): 014005. Bibcode:2018MRE.....5a4005P. doi:10.1088/2053-1591/aaa1fc. Retrieved 17 November 2020.
    22. ↑ Lin, Y.D.; Lee, H.Y.; Tang, Y.T.; Yeh, P.C.; Yang, H.Y.; Yeh, P.S.; Wang, C.Y.; Su, J.W.; Li, S.H.; Sheu, S.S.; Hou, T.H.; Lo, W.C.; Lee, M.H.; Chang, M.F.; King, Y.C.; Lin, C.J. (13 February 2020). "3D Scalable, Wake-up Free, and Highly Reliable FRAM Technology with Stress-Engineered HfZrOx". 2019 IEEE International Electron Devices Meeting (IEDM): 15.3.1–15.3.4. doi:10.1109/IEDM19573.2019.8993504. ISBN 978-1-7281-4032-2. Retrieved 17 November 2020. Unknown parameter |s2cid= ignored (help)
    23. ↑ "QuantumATK Solutions for Materials Modeling". Synopsys. Retrieved 17 November 2020.
    24. ↑ "Polymer Simulations with QuantumATK". Synopsys. Retrieved 18 November 2020.
    25. ↑ Panwar, V.; Pal, K. (20 December 2019). "Influence of addition of selective metallic species on mechanical properties of graphene/acrylonitrile‐butadiene‐styrene composites". Polymer Composites. 41 (4): 1636–1648. doi:10.1002/pc.25485. Retrieved 18 November 2020.
    26. ↑ Milowska, K.Z.; Burda, M.; Wolanicka, L.; Bristowe, P.D.; Koziol, K.K.K. (2019). "Carbon nanotube functionalization as a route to enhancing the electrical and mechanical properties of Cu–CNT composites". Nanoscale. 11 (1): 145–157. doi:10.1039/C8NR07521B. PMID 30525144. Retrieved 18 November 2020.
    27. ↑ Nicholson, A.P.; Martinez, U.; Shah, A.; Thiyagarajan, A.; Sampath, W.S. (30 October 2020). "Atomistic modeling of energy band alignment in CdTe(1 0 0) and CdTe(1 1 1) surfaces". Applied Surface Science. 528: 146832. Bibcode:2020ApSS..52846832N. doi:10.1016/j.apsusc.2020.146832. Retrieved 18 November 2020.
    28. ↑ Stanley, J.C.; Mayr, F.; Gagliardi, A. (18 November 2019). "Machine Learning Stability and Bandgaps of Lead‐Free Perovskites for Photovoltaics". Advanced Theory and Simulations. 3 (1). doi:10.1002/adts.201900178. Retrieved 18 November 2020.
    29. ↑ Palsgaard, M.; Gunst, T.; Markussen, K.; Thygesen, S.; Brandbyge, M. (17 October 2018). "Stacked Janus Device Concepts: Abrupt pn-Junctions and Cross-Plane Channels". Nano Letters. 18 (11): 7275–7281. Bibcode:2018NanoL..18.7275P. doi:10.1021/acs.nanolett.8b03474. PMID 30339398. Retrieved 18 November 2020.
    30. ↑ Dhali, S.; Karakoti, M.; Pandey, S.; SanthiBhushan, B.; KumarVerma, R.; Srivastava, A.; Bal, R.; Mehta, S.P.S.; Sahoo, N.G. (24 July 2020). "Graphene oxide supported Pd-Fe nanohybrid as an efficient electrocatalyst for proton exchange membrane fuel cells". International Journal of Hydrogen Energy. 45 (37): 18704–18715. doi:10.1016/j.ijhydene.2019.09.131. Retrieved 19 November 2020.
    31. ↑ Dmitriyeva, Olga; Hamm, S.C.; Knies, D.L.; Cantwell, R.; McConnell, M. (May 2018). "The impact of surface composition on Tafel kinetics leading to enhanced electrochemical insertion of hydrogen in palladium". Applied Surface Science. 440: 224–228. Bibcode:2018ApSS..440..224D. doi:10.1016/j.apsusc.2018.01.129. Retrieved 20 November 2020.
    32. ↑ Hamm, S.C.; Dmitriyeva, O.; Knies, D.L.; Cantwell, R.; McConnell, M. (July 2017). "Engineering Palladium Surfaces to Enhance the Electrochemical Storage of Hydrogen". ECS Transactions. 77 (11): 65–79. Bibcode:2017ECSTr..77k..65H. doi:10.1149/07711.0065ecst. Retrieved 20 November 2020.
    33. ↑ Lee, C.H.; Nam, E.B.; Lee, M.E.; Lee, S.U. (September 2019). "Unraveling the controversy over a catalytic reaction mechanism using a new theoretical methodology: One probe and non-equilibrium surface Green's function". Nano Energy. 63: 103863. doi:10.1016/j.nanoen.2019.103863. Retrieved 20 November 2020.
    34. ↑ Ullah, H.; Loh, A.; Trudgeon, D.P.; Li, X (4 Aug 2020). "Density Functional Theory Study of NiFeCo Trinary Oxy-Hydroxides for an Efficient and Stable Oxygen Evolution Reaction Catalyst". ACS Omega. 5 (32): 20517–20524. doi:10.1021/acsomega.0c02679. PMC 7439378 Check |pmc= value (help). PMID 32832804 Check |pmid= value (help). Retrieved 20 November 2020.
    35. ↑ Yu, Y.; Chen, D.; Gao, S.; Huang, J.; Hu, S.; Yang, H.; Jin, G. (2 Dec 2019). "The surface passivation of Ge(100) and Ge(111) anodes in Ge–air batteries with different doping types and concentrations". RSC Advances. 9 (68): 39582–39588. doi:10.1039/C9RA06725F. Retrieved 20 November 2020.
    36. ↑ Wang, T.; Li, C.; Xia, C.; Yin, L.; Yipeng, A.; Wei, S.; Dai, X. (August 2020). "Silicene/BN vdW heterostructure as an ultrafast ion diffusion anode material for Na-ion battery". Physica E: Low-dimensional Systems and Nanostructures. 122: 114146. Bibcode:2020PhyE..12214146W. doi:10.1016/j.physe.2020.114146. Retrieved 20 November 2020.
    37. ↑ Harada, N.; Sato, S. (24 May 2016). "Electronic properties of NH4-adsorbed graphene nanoribbon as a promising candidate for a gas sensor". AIP Advances. 6 (5): 055023. Bibcode:2016AIPA....6e5023H. doi:10.1063/1.4952965. Retrieved 20 November 2020.
    38. ↑ Marmolejo-Tejada, J.M.; Jaramillo-Botero, A. (14 Feb 2020). "Effect of surface oxidation on the electronic transport properties of phosphorene gas sensors: a computational study". RSC Advances. 10 (12): 6893–6899. Bibcode:2020RSCAd..10.6893M. doi:10.1039/D0RA00416B. Retrieved 20 November 2020.
    39. ↑ Zhang, C.; Ning, J.; Wang, B.; Guo, H.; Feng, X.; Shen, X.; Jia, Y.; Dong, J.; Wang, D.; Zhang, J.; Hao, Y. (19 September 2020). "Hybridized 1T/2H-MoS2/graphene fishnet tube for high-performance on-chip integrated micro-systems comprising supercapacitors and gas sensors". Nano Research. 14 (1): 114–121. Bibcode:2020NaRes..14..114Z. doi:10.1007/s12274-020-3052-x. Retrieved 20 November 2020. Unknown parameter |s2cid= ignored (help)
    40. ↑ Peng, S.; Zhang, J-M.; Zhao, Z-Y.; Wang, C-J.; Wen, M. (1 November 2020). "First-principles study on structural, mechanical, and electronic properties of disordered Pt1-xNix alloys". Materials Chemistry and Physics. 254: 123132. doi:10.1016/j.matchemphys.2020.123132. Retrieved 20 November 2020.

    QuantumATK software page


    This article "Synopsys QuantumATK" is from Wikipedia. The list of its authors can be seen in its historical and/or the page Edithistory:Synopsys QuantumATK. Articles copied from Draft Namespace on Wikipedia could be seen on the Draft Namespace of Wikipedia and not main one.


    Retrieved from "https://en.everybodywiki.com/index.php?title=Synopsys_QuantumATK&oldid=2228510"
    License CC BY-SA 3.0
    Powered by MediaWiki