Blar i SINTEF Industri på tidsskrift "Journal of Physics: Condensed Matter"

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    • The atomic simulation environment - A Python library for working with atoms 

      Larsen, Ask Hjorth; Mortensen, Jens Jørgen; Blomqvist, Jakob; Castelli, Ivano E.; Christensen, Rune; Dulak, Marcin; Friis, Jesper; Groves, Michael N.; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D.; Jennings, Paul C.; Jensen, Peter Bjerre; Kermode, James; Kitchin, John R.; Kolsbjerg, Esben Leonhard; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Maronsson, Jón Bergmann; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S.; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael N.; Zeng, Zhenhua; Jacobsen, Karsten Wedel (Peer reviewed; Journal article, 2017)
      Abstract The Atomic Simulation Environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simula- tions. In ASE, tasks are fully scripted ...

    • Interface phenomena in magnetron sputtered Cu2O/ZnO heterostructures 

      Jensen, Ingvild Julie Thue; Gorantla, Sandeep Madhukar; Løvvik, Ole Martin; Gan, Jiantuo; Nguyen, Phuong Dan; Monakhov, Edouard; Svensson, Bengt Gunnar; Gunnæs, Anette Eleonora; Diplas, Spyridon (Peer reviewed; Journal article, 2017)
      The interface between ZnO and Cu2O has been predicted to be a good candidate for use in thin film solar cells. However, the high predicted conversion efficiency has yet to be fully realized experimentally. To explore the ...

    • Plasmonic properties of aluminium nanowires in amorphous silicon 

      Thøgersen, Annett; Jensen, Ingvild Julie Thue; Belle, Branson Delano; Stange, Marit Synnøve Sæverud; Reinertsen, Vilde Mari; Kjeldstad, Torunn; Prytz, Øystein; Monakhov, Eduard; Kepaptsoglou, Demie (Peer reviewed; Journal article, 2022)
      Plasmonic structures can help enhance optical activity in the ultraviolet (UV) region and therefore enhancing photocatalytic reactions and the detection of organic and biological species. Most plasmonic structures are ...

    • Prediction of solute diffusivity in Al assisted by first-principles molecular dynamics 

      Løvvik, Ole Martin; Sagvolden, Espen; Li, Yanjun (Peer reviewed; Journal article, 2014)
      Ab initio calculations of the solid-state diffusivity of solute atoms in bulk aluminium have previously been based on transition state theory (TST), employing transition state searches and systematic assessments of single ...

    • Valence charge distribution in homogenous silicon-aluminium thin-films 

      Thøgersen, Annett; Jensen, Ingvild Julie Thue; Stange, Marit Synnøve Sæverud; Røyset, Arne Karstein; Løvvik, Ole Martin; Ulyashin, Alexander; Diplas, Spyridon (Peer reviewed; Journal article, 2018)
      Homogenous aSi1−xAlxHy alloyed thin films, made by magnetron sputtering, has been found to exhibit tunable band gap and dielectric constant depending on their composition. The optical properties of alloys are largely defined ...