Zobrazeno 1 - 10
of 33
pro vyhledávání: '"Tue Gunst"'
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 4, Iss 1, Pp 103-110 (2013)
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalisation. Using first-principles calculations based on density functional theory (DFT), we investi
Externí odkaz:
https://doaj.org/article/c4e8e1fb40b94b89a69dbbb67c85db11
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 2, Iss 1, Pp 814-823 (2011)
Background: The effect of electric current on the motion of atoms still poses many questions, and several mechanisms are at play. Recently there has been focus on the importance of the current-induced nonconservative forces (NC) and Berry-phase deriv
Externí odkaz:
https://doaj.org/article/3d82efe7dae14af5bc28c2982bd0c253
Autor:
Haruhide Miyagi, Brecht Verstichel, Anders Blom, Petr Khomyakov, Jess Wellendorff, Umberto Martinez, Tue Gunst, Mattias Lau Nøhr Palsgaard, Søren Smidstrup, Vaida Arcisauskaite, Fabiano Corsetti
Publikováno v:
2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD).
We demonstrate an efficient method for high-accuracy ab initio simulations for semiconductor device technology development, such as high-k metal gate stack engineering and investigation of 2D material-based FET performance. The method combines the HS
Publikováno v:
2021 IEEE International Interconnect Technology Conference (IITC).
In this work, we demonstrate our first-principles based methodology to include atomistic level simulations to evaluate the promise of different metals on the performance of MOL/BEOL interconnects. The specific metals that we focus on include Cu, Ru (
Publikováno v:
Design-Process-Technology Co-optimization XV.
In this work, we demonstrate our first-principles based methodology to include atomistic level simulations to evaluate the promise of different metals on the performance of MOL/BEOL interconnects. The specific metals that we focus on include Cu, Ru (
Autor:
Jonathan Cobb, Robert R. Robison, Shela Aboud, Tue Gunst, Timothy M. Philip, Troels Markussen, Nicholas A. Lanzillo, Anders Blom
Publikováno v:
2020 IEEE International Interconnect Technology Conference (IITC).
We study grain boundary scattering as a source of resistance increase in narrow interconnects. We consider both copper and a potential next-generation metal, ruthenium. The increase in resistance due to grain boundary scattering is often calculated u
Publikováno v:
Nanoengineering: Fabrication, Properties, Optics, Thin Films, and Devices XVII.
Recent observations of ferroelectricity in mixed hafnia and zirconia thin films have been surprising, since the bulk crystal phases of the individual materials are non-polar in the absence of applied electric fields. The ferroelec- tricity can be tra
Autor:
Søren Smidstrup, G. Penazzi, Jess Wellendorff, Ari Ojanperä, Samuel T. Chill, Maeng-Eun Lee, Umberto Martinez, Ulrik Grønbjerg Vej-Hansen, Mattias Lau Nøhr Palsgaard, Kurt Stokbro, Petr Khomyakov, Mads Brandbyge, Brecht Verstichel, Pieter Vancraeyveld, Tue Gunst, Kristian Jensen, Troels Markussen, Anders Blom, Fabiano Corsetti, Julian Schneider, Filip Rasmussen, Daniele Stradi
Publikováno v:
Smidstrup, S, Markussen, T, Vancraeyveld, P, Wellendorff, J, Schneider, J, Gunst, T, Verstichel, B, Stradi, D, Khomyakov, P A, Vej-Hansen, U G, Lee, M-E, Chill, S T, Rasmussen, F, Penazzi, G, Corsetti, F, Ojanpera, A, Jensen, K, Palsgaard, M L N, Martinez, U, Blom, A, Brandbyge, M & Stokbro, K 2020, ' QuantumATK: An integrated platform of electronic and atomic-scale modelling tools ', Journal of Physics Condensed Matter, vol. 32, no. 1, 015901 . https://doi.org/10.1088/1361-648X/ab4007
Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter
QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. While different aspects and individual modules of the platform have been previously pr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d09e260e31875ae2f2f421a732d8bc1d
https://orbit.dtu.dk/en/publications/e1579037-0501-48c5-afc0-c3ca4c25670a
https://orbit.dtu.dk/en/publications/e1579037-0501-48c5-afc0-c3ca4c25670a
Publikováno v:
Papior, N R, Gunst, T, Stradi, D & Brandbyge, M 2016, ' Manipulating the voltage drop in graphene nanojunctions using a gate potential ', Physical Chemistry Chemical Physics .
Graphene is an attractive electrode material to contact nanostructures down to the molecular scale since it can be gated electrostatically. Gating can be used to control the doping and the energy level alignment in the nanojunction, thereby influenci
Publikováno v:
2018 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD).
We present several extensions to the Boltzmann Transport Equation (BTE) solver implemented in QuantumATK. This enables computational efficient simulations of first-principles transport coefficients in linear response to an applied electric field, mag