• Bi vacancy formation in BiFeO3 epitaxial thin films under compressive (001)-strain from first principles 

      Xia, Lu; Tybell, Thomas; Selbach, Sverre Magnus (Peer reviewed; Journal article, 2019)
      Point defects in BiFeO3 affect both structural and functional properties. To elucidate the role of single Bi vacancies and Bi–O vacancy pairs we investigate their stability and effect on structural and ferroelectric ...
    • First-principles study of the effect of (111) strain on octahedral rotations and structural phases of LaAlO3 

      Moreau, Magnus; Marthinsen, Astrid; Selbach, Sverre Magnus; Tybell, Per Thomas Martin (Journal article; Peer reviewed, 2017)
      The structural and electronic response of LaAlO3 to biaxial strain in the (111) plane is studied by density functional theory (DFT) and compared with strain in the (001) plane and isostatic strain. For (111) strain, in-plane ...
    • Goldstone-like phonon modes in a (111)-strained perovskite 

      Marthinsen, Astrid; Griffin, Sinead M; Moreau, Magnus; Grande, Tor; Tybell, Per Thomas Martin; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2018)
      Goldstone modes are massless particles resulting from spontaneous symmetry breaking. Although such modes are found in elementary particle physics as well as in condensed-matter systems like superfluid helium, superconductors, ...
    • Interstitial oxygen as a source of p-type conductivity in hexagonal manganites 

      Skjærvø, Sandra Helen; Tjønneland Wefring, Espen; Nesdal, Silje K.; Gaukås, Nikolai Helth; Olsen, Gerhard Henning; Glaum, Julia; Tybell, Per Thomas Martin; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2016)
      Hexagonal manganites, h-RMnO3 (R=Sc, Y, Ho–Lu), have been intensively studied for their multiferroic properties, magnetoelectric coupling, topological defects and electrically conducting domain walls. Although point defects ...
    • Low-energy properties of electrons and holes in CuFeS2 

      Brekke, Bjørnulf; Malyshev, Roman; Svenum, Ingeborg-Helene; Selbach, Sverre Magnus; Tybell, Per Thomas Martin; Brüne, Christoph; Brataas, Arne (Peer reviewed; Journal article, 2022)
      The antiferromagnetic semiconductor CuFeS2 belongs to a magnetic symmetry class that is of interest for spintronics applications. In addition, its crystal lattice is compatible with Si, making it possible to integrate it ...
    • Magnetic domain configuration of (111)-oriented LaFeO3 epitaxial thin films 

      Hallsteinsen, Ingrid; Moreau, Magnus; Chopdekar, R.V.; Christiansen, Emil; Nord, Magnus Kristofer; Vullum, Per Erik; Grepstad, Jostein; Holmestad, Randi; Selbach, Sverre Magnus; Scholl, A; Arenholz, E; Folven, Erik; Tybell, Per Thomas Martin (Journal article; Peer reviewed, 2017)
      In antiferromagnetic spintronics control of the domains and corresponding spin axis orientation is crucial for devices. Here we investigate the antiferromagnetic axis in (111)-oriented LaFeO3/SrTiO3, which is coupled to ...
    • Octahedral coupling in (111)- and (001)-oriented La0.7Sr0.3MnO3/SrTiO3 heterostructures 

      Moreau, Magnus; Selbach, Sverre Magnus; Tybell, Per Thomas Martin (Journal article; Peer reviewed, 2018)
      Rotations and distortions of oxygen octahedra in perovskites play a key role in determining their functional properties. Here, we investigate how octahedral rotations can couple from one material to another in La2/3Sr1/3 ...
    • Oxygen vacancies in the bulk and at neutral domain walls in hexagonal YMnO3 

      Skjærvø, Sandra Helen; Småbråten, Didrik Rene; Spaldin, Nicola A; Tybell, Per Thomas Martin; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2018)
      We use density functional calculations to investigate the accommodation and migration of oxygen vacancies in bulk hexagonal YMnO3, and to study interactions between neutral ferroelectric domain walls and oxygen vacancies. ...
    • Spatially Confined Spin Polarization and magnetic sublattice control in (La,Sr)MnO3−δ Thin Films by Oxygen Vacancy Ordering 

      Moreau, Magnus; Selbach, Sverre Magnus; Tybell, Per Thomas Martin (Journal article; Peer reviewed, 2017)
      Perovskite oxides are known for their strong structure property coupling and functional properties such as ferromagntism, ferroelectricity and high temperature superconductivity. While the effect of ordered cation vacancies ...
    • Strain-phonon coupling in (111)-oriented perovskite oxides 

      Moreau, Magnus; Marthinsen, Astrid; Selbach, Sverre Magnus; Tybell, Per Thomas Martin (Journal article; Peer reviewed, 2017)
      Strain-phonon coupling, in terms of the shift in phonon frequencies under biaxial strain, is studied by density functional theory calculations for 20 perovskite oxides strained in their (111) and (001) planes. While the ...
    • Uniaxial Néel vector control in perovskite oxide thin films by anisotropic strain engineering 

      Kjærnes, Kristoffer; Hallsteinsen, Ingrid; Chopdekar, R. V.; Moreau, Magnus; Bolstad, Torstein; Svenum, Ingeborg-Helene; Selbach, Sverre Magnus; Tybell, Per Thomas Martin (Peer reviewed; Journal article, 2021)
      Antiferromagnetic (AF) thin films typically exhibit a multidomain state, and control of the AF Néel vector is challenging, as AF materials are robust to magnetic perturbations. In this paper, uniaxial Néel vector control ...