• Coupling and competition between ferroelectricity, magnetism, strain, and oxygen vacancies in AMnO3 perovskites 

      Marthinsen, Astrid; Faber, Carina; Aschauer, Ulrich; Spaldin, Nicola A.; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2016)
      We use first-principles calculations based on density functional theory to investigate the interplay between oxygen vacancies, A-site cation size/tolerance factor, epitaxial strain, ferroelectricity, and magnetism in the ...
    • Functional electronic inversion layers at ferroelectric domain walls 

      Mundy, Julia; Schaab, Jakob; Kumagai, Yu; Cano, Andres; Stengel, Massimiliano; Krug, Ingo P.; Gottlob, Daniel G.; Doganay, Hattice; Holtz, Megan, E.; Held, Rainer; Yan, Zewu; Bourret, Edith; Schneider, Claus M.; Schlom, Darrel G.; Muller, David A.; Ramesh, Ramamoorthy; Spaldin, Nicola A.; Meier, Dennis Gerhard (Journal article; Peer reviewed, 2017)
      Ferroelectric domain walls hold great promise as functional two-dimensional materials because of their unusual electronic properties. Particularly intriguing are the so-called charged walls where a polarity mismatch causes ...
    • Global formation of topological defects in the multiferroic hexagonal manganites 

      Meier, Quintin Noel; Lilienblum, Martin; Griffin, Sinead M; Conder, K; Pomjakushina, Ekaterina; Yan, Zewu; Bourret, Edith; Meier, Dennis; Lichtenberg, Frank; Salje, Ekhard K. H.; Spaldin, Nicola A.; Fiebig, Manfred; Cano, Andrés (Journal article; Peer reviewed, 2017)
      The spontaneous transformations associated with symmetry-breaking phase transitions generate domain structures and defects that may be topological in nature. The formation of these defects can be described according to the ...
    • 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 ...
    • Unconventional Continuous Structural Disorder at the Order-Disorder Phase Transition in the Hexagonal Manganites 

      Skjærvø, Sandra Helen; Meier, Quintin Noel; Feygenson, Mikhail; Spaldin, Nicola A.; Billinge, Simon J. L.; Božin, Emil S.; Selbach, Sverre Magnus (Journal article; Peer reviewed, 2019)
      The improper ferroelectricity in YMnO3 and other related multiferroic hexagonal manganites is known to cause topologically protected ferroelectric domains that give rise to rich and diverse physical phenomena. The local ...