Theoretical Atomic-scale Physics

  1. 2017
  2. Published

    Interlayer Excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures. / Latini, Simone; Winther, Kirsten Trøstrup; Olsen, Thomas; Thygesen, Kristian Sommer.

    In: Nano Letters, Vol. 17, No. 2, 2017, p. 938-945.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  3. Published

    Jahn-Teller and Non-Jahn-Teller Systems Involving CuF64- Units: Role of the Internal Electric Field in Ba2ZnF6:Cu2+ and Other Insulating Systems. / Aramburu, J. A.; Garcia-Fernandez, P.; García Lastra, Juan Maria; Moreno, M.

    In: Journal of Physical Chemistry C, Vol. 121, No. 9, 2017, p. 5215-5224.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  4. Published

    Layered van der Waals crystals with hyperbolic light dispersion. / Gjerding, Morten Niklas; Petersen, R.; Pedersen, T.G.; Mortensen, N. Asger; Thygesen, Kristian Sommer.

    In: Nature Communications, Vol. 8, No. 1, 320, 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  5. Published

    Metal-insulator transition in disordered systems from the one-body density matrix. / Olsen, Thomas; Resta, Raffaele; Souza, Ivo.

    In: Physical Review B, Vol. 95, No. 4, 045109, 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  6. Published

    Modeling the active sites of Co-promoted MoS2 particles by DFT. / Šaric, Manuel; Rossmeisl, Jan; Moses, Poul Georg.

    In: Physical Chemistry Chemical Physics, Vol. 19, 2017, p. 2017-2024.

    Publication: Research - peer-reviewJournal article – Annual report year: 2016

  7. Published

    Phonon limited electronic transport in Pb. / Rittweger, Florian; Hinsche, Nicki Frank; Mertig, Ingrid.

    In: Journal of Physics: Condensed Matter, Vol. 29, No. 35, 355501, 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  8. Accepted/In press

    Role of the Band Gap for the Interaction Energy of Coadsorbed Fragments. / Castelli, Ivano Eligio; Man, Isabela-Costinela; Soriga, Stefan-Gabriel; Parvulescu, Vasile; Halck, Niels Bendtsen; Rossmeisl, Jan.

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  9. Published

    Surface theorem for the Chern-Simons axion coupling. / Olsen, Thomas; Taherinejad, Maryam ; Vanderbilt, David ; Souza, Ivo.

    In: Physical Review B Condensed Matter, Vol. 95, 075137, 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  10. Published

    Temperature dependent photoreflectance study of Cu2SnS3 thin films produced by pulsed laser deposition. / Raadik, T.; Grossberg, M.; Krustok, J.; Kauk-Kuusik, M.; Crovetto, Andrea; Ettlinger, Rebecca Bolt; Hansen, O.; Schou, Jørgen.

    In: Applied Physics Letters, Vol. 110, No. 26, 261105, 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  11. Published

    The Atomic Simulation Environment - A Python library for working with atoms. / Larsen, Ask Hjorth; Mortensen, Jens Jørgen; Blomqvist, Jakob; Castelli, Ivano Eligio; Christensen, Rune; Dulak, Marcin; Friis, Jesper; Groves, Michael; Hammer, Bjørk; Hargus, Cory; Hermes, Eric; C. Jennings, Paul; Jensen, Peter Bjerre; Kermode, James; Kitchin, John; Kolsbjerg, Esben; Kubal, Joseph ; Kaasbjerg, Kristen; Lysgaard, Steen; Maronsson, Jon Bergmann; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian Sommer; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten Wedel.

    In: Journal of Physics: Condensed Matter, Vol. 29, 273002, 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

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