• Lead-free piezoelectric Materials based on Silver Niobate 

      Walø, Stine Lund (Master thesis, 2013)
      Studies done on base material AgNbO3 reveals that a large polarization, which is comparable to values reported for PZT, occurs under application of a high electric field. Density functional calculations show that solid ...
    • Limitations of Ultrathin Al2O3 Coatings on LNMO Cathodes 

      Østli, Elise Ramleth; Tesfamhret, Yonas; Wenner, Sigurd; Lacey, Matthew J.; Brandell, Daniel; Svensson, Ann Mari; Selbach, Sverre Magnus; Wagner, Nils P. (Peer reviewed; Journal article, 2021)
      This study demonstrates the application of Al2O3 coatings for the high-voltage cathode material LiNi0.5–xMn1.5+xO4−δ (LNMO) by atomic layer deposition. The ultrathin and uniform coatings (0.6–1.7 nm) were deposited on LNMO ...
    • Local and average structure of Mn- and La-substituted BiFeO3 

      Jiang, Bo; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2017)
      The local and average structure of solid solutions of the multiferroic perovskite BiFeO3 is investigated by synchrotron X-ray diffraction (XRD) and electron density functional theory (DFT) calculations. The average ...
    • Local structural coupling of A- and B-site disorder in perovskite bismuth-based piezoelectrics 

      Jiang, Bo; Lin, De-Ye; Grande, Tor; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2019)
      The local and average structure of (1-x)Bi0.5K0.5TiO3-xBiFeO3 (BKT-xBFO, x = 0.25 and 0.5) solid solutions are studied by synchrotron X-ray total scattering from ambient to 773 K. Pair distribution functions (PDFs) demonstrate ...
    • Local Structure of Disordered Bi0.5K0.5TiO3 Investigated by Pair Distribution Function Analysis and First-Principles Calculations 

      Jiang, Bo; Grande, Tor; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2017)
      We investigate A-site cation ordering in the ferroelectric perovskite Bi0.5K0.5TiO3 (BKT) by density functional theory (DFT) calculations and synchrotron X-ray total scattering. Using BKT as a prototypical lead-free ...
    • 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 ...
    • Mesophase Transitions in [(C2H5)4N][FeBrCl3] and [(CH3)4N][FeBrCl3] Ferroic Plastic Crystals 

      Walker, Julian; Marshall, Kenneth Paul; Beceiro, Jorge Salgado; Williamson, Benjamin; Løndal, Nora Statle; Castro-Garcia, Socorro; Andújar, Manuel Sánchez; Selbach, Sverre Magnus; Chernyshov, Dmitry; Einarsrud, Mari-Ann (Peer reviewed; Journal article, 2022)
      Plastic crystals are supramolecular materials that possess a unique high entropy mesophase at elevated temperatures, where a long-range structural symmetry coexists with a local molecular orientational disorder. The ...
    • Microscopic Link between Electron Localization and Chemical Expansion in AMnO3 and ATiO3 Perovskites (A = Ca, Sr, Ba) 

      Marthinsen, Astrid; Grande, Tor; Selbach, Sverre Magnus (Peer reviewed; Journal article, 2020)
      The microscopic origin of chemical expansion in perovskite oxides, due to formation of oxygen vacancies accompanied by formal reduction of a 3d transition metal, is studied by first-principles calculations. We compare the ...
    • Nanomaterialer for kjemisk oksygenlagring 

      Østmoe, Tormod (Master thesis, 2014)
      Faserene nanokrystalline pulvere av heksagonal RMnO3, hvor R er Y eller Dy, ble syntetisert med en våt-kjemisk syntesemetode , og prøvene ble varmebehandlet ved forskjellige temperaturer for å oppnå varierende krystallit ...
    • Observation of Electric-Field-Induced Structural Dislocations in a Ferroelectric Oxide 

      Evans, Donald; Småbråten, Didrik Rene; Holstad, Theodor Secanell; Vullum, Per Erik; Mosberg, Aleksander Buseth; Yan, Zewu; Bourret, Edith; Van Helvoort, Antonius; Selbach, Sverre Magnus; Meier, Dennis (Peer reviewed; Journal article, 2021)
      Dislocations are 1D topological defects with emergent electronic properties. Their low dimensionality and unique properties make them excellent candidates for innovative device concepts, ranging from dislocation-based ...
    • 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 ...
    • On the Durability of Protective Titania Coatings on High-Voltage Spinel Cathodes 

      Østli, Elise Ramleth; Ebadi, Mahsa; Tesfamhret, Yonas; Mahmoodinia, Mehdi; Lacey, Matthew; Brandell, Daniel; Svensson, Ann Mari; Selbach, Sverre Magnus; Wagner, Nils Peter (Peer reviewed; Journal article, 2022)
      TiO2-coating of LiNi0.5-xMn1.5+xO4 (LNMO) by atomic layer deposition (ALD) has been studied as a strategy to stabilize the cathode/electrolyte interface and mitigate transition metal (TM) ion dissolution. The TiO2 coatings ...
    • On the energetics of cation ordering in tungsten-bronze-type oxides 

      Olsen, Gerhard Henning; Selbach, Sverre Magnus; Grande, Tor (Journal article; Peer reviewed, 2015)
      Oxides with the tetragonal tungsten bronze (TTB) structure are well-known ferroelectrics that show a large flexibility both with respect to chemical composition and cation ordering. Two of the simplest compounds in this ...
    • Optimization of chemical composition of novel manganite oxides for oxygen permeable membranes 

      Østli, Elise Ramleth (Master thesis, 2015)
      Every year, millions of tons of high purity oxygen are produced mainly by cryogenic distillation. Since this process is energetically demanding, there is a need for more energy efficient technologies, and the use of oxygen ...
    • Origin of ferroelectric polarization in tetragonal tungsten-bronze-type oxides 

      Olsen, Gerhard Henning; Aschauer, Ulrich; Spaldin, Nicola A.; Selbach, Sverre Magnus; Grande, Tor (Journal article; Peer reviewed, 2016)
      The origin of ferroelectric polarization in tetragonal tungsten-bronze- (TTB-) type oxide strontium barium niobate (SBN) is investigated using first-principles density functional calculations. We study in particular the ...
    • Oxidation Kinetics of Nanocrystalline Hexagonal RMn<inf>1-x</inf>Ti<inf>x</inf>O<inf>3</inf> (R = Ho, Dy) 

      Danmo, Frida Hemstad; Nylund, Inger-Emma; Westermoen, Aamund; Marshall, Kenneth Paul; Stoian, Dragos; Grande, Tor; Glaum, Julia; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2023)
    • Oxygen absorption in hexagonal manganites 

      Danmo, Frida Hemstad (Doctoral theses at NTNU;2023:192, Doctoral thesis, 2023)
      Oxygen is one of the worlds most used chemicals, with over 100 million tons of pure O2 being used for industrial and medical purposes each year. The demand for O2 is high, and expected to rise even further due to its ...
    • Oxygen Absorption in Nanocrystalline h-RMnO<inf>3</inf> (R = Y, Ho, Dy) and the Effect of Ti Donor Doping 

      Danmo, Frida Hemstad; Williamson, Benjamin Albert Dobson; Småbråten, Didrik Rene; Gaukås, Nikolai Helth; Østli, Elise Ramleth; Grande, Tor; Glaum, Julia; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2023)
    • Oxygen Incorporation and Release in Metastable Bixbyite V2O3 Nanocrystals 

      Bergerud, Amy; Selbach, Sverre Magnus; Milliron, Delia J. (Journal article, 2016)
      A new, metastable polymorph of V2O3 with a bixbyite structure was recently stabilized in colloidal nanocrystal form. Here, we report the reversible incorporation of oxygen in this material, which can be controlled by varying ...