Efficient quantum simulations of devices based on 2D materials including vertical heterojunctions

dc.contributor.authorSanchez-Soares, Alfonsoen
dc.contributor.authorKelly, T.en
dc.contributor.authorSu, S.-K.en
dc.contributor.authorChen, E.en
dc.contributor.authorGreer, James C.en
dc.contributor.authorFagas, Georgiosen
dc.date.accessioned2024-12-03T16:45:52Z
dc.date.available2024-12-03T16:45:52Z
dc.date.issued2024-10-31en
dc.description.abstractWe present a modelling framework that enables efficient exploration of the electrical performance of devices based on 2D material vertical heterojunctions. Electronic structure data from density functional theory (DFT) simulations is used to extract parameters for k.p Hamiltonians. Material models are then employed in device simulations based on non-equilibrium Green's functions (NEGF) for a quantum-mechanical description of charge transport. Electron-phonon scattering is included in order to account for dissipative phenomena as well as phonon-assisted interlayer charge transport. We demonstrate our methodology with an application to a Dirac-source field-effect transistor (DS-FET) design based on a monolayer molybdenum disulfide channel (ML-MoS2) with a graphene contact.en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationSanchez-Soares, A., Kelly, T., Su, S.-K., Chen, E., Greer, J. C. and Fagas, G. (2024) 'Efficient quantum simulations of devices based on 2D materials including vertical heterojunctions', 2024 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), San Jose, CA, USA, 24-27 September 2024, pp. 1-4. https://doi.org/10.1109/SISPAD62626.2024.10733084en
dc.identifier.doihttps://doi.org/10.1109/SISPAD62626.2024.10733084en
dc.identifier.endpage4en
dc.identifier.isbn979-8-3315-1635-2en
dc.identifier.isbn979-8-3315-1636-9en
dc.identifier.startpage1en
dc.identifier.urihttps://hdl.handle.net/10468/16701
dc.language.isoenen
dc.publisherInstitute of Electrical and Electronics Engineers (IEEE)en
dc.relation.ispartof2024 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), San Jose, CA, USA, 24-27 September 2024en
dc.rights© 2024, IEEE. Personal use of this material is permitted. Permission from IEEE must be obtained for all other uses, in any current or future media, including reprinting/republishing this material for advertising or promotional purposes, creating new collective works, for resale or redistribution to servers or lists, or reuse of any copyrighted component of this work in other works.en
dc.subjectNEGFen
dc.subjectCold sourceen
dc.subjectPhonon scatteringen
dc.titleEfficient quantum simulations of devices based on 2D materials including vertical heterojunctionsen
dc.typeConference itemen
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