Publications

Journal Publications

2013

• Aschauer U., Pfenninger R., Selbach S.M., Grande T. and Spaldin N.A.
  Strain controlled oxygen vacancy formation and ordering in CaMnO3
  arXiv:1303.4749
• Wang Z., Gu L., Saito M., Tsukimoto S., Tsukada M., Lichtenberg, Ikuhara Y. and Bednorz J.G.
  Spontaneous Structural Distortion and Quasi-One-Dimensional Quantum Confinement in a Single-Phase Compound
  Adv. Mater. 25, 218–222 (2013).
• Wölfel A., Dorscht P., Lichtenberg F. and van Smaalen S.
  Anisotropic thermal expansion of Lan(Ti,Fe)nO3n+2 (n = 5 and n = 6)
  Acta Cryst. B 69, 137–144 (2013).
• Grünebohm A., Entel P. and Ederer C.
  First-principles investigation of incipient ferroelectric trends of rutile TiO2 in bulk and at the (110) surface
  Phys. Rev. B 87, 054110 (2013).
• Caffrey N.M., Fritsch D., Archer Th., Sanvito S. and Ederer C.
  Spin-filtering efficiency of ferrimagnetic spinels CoFe2O4 and NiFe2O4
  Phys. Rev. B 87, 024419 (2013).
• MacLaren I., Wang L.Q., Schaffer B., Ramasse Q.M., Craven A.J., Selbach S.M., Spaldin N.A., Miao S., Kalantari K. and Reaney I.M.
  Nanorods: Novel Nanorod Precipitate Formation in Neodymium and Titanium Codoped Bismuth Ferrite
  Adv. Functional Materials, 23: p. 654 (2013).
  
• Lahourcade L., Coronel N.C., Delaney K.T., Shukla S.K., Spaldin N.A. and Atwater H.A.
  Structural and Optoelectronic Characterization of RF Sputtered ZnSnN₂.
  Adv. Materials, doi: 10.1002/adma.201204718 (2013).
  
• Kumagai Y. and Spaldin N.A.
  Structural domain walls in polar hexagonal manganites
  Nature Communications, 4:1540 (2013).
• Wölfel A., Lichtenberg F. and van Smaalen S.
  Two-dimensional magnetic clusters in Lan(Ti1−xFex)nO3n+2 (n = 5 with x = 0.2 and n = 6 with x = 0.33)
  Journal of Physics: Condensed Matter, 25, 076003 (2013).

2012

• Spaldin N.A.
  A beginner's guilde to the modern theory of polarization
  Journal of Solid State Chemistry, 195, 2-10 (2012).
  
• Griffin S.M., Lilienblum M., Delaney K.T., Kumagai Y., Fiebig M. and Spaldin N.A.
  Scaling Behavior and Beyond Equilibrium in the Hexagonal Manganites
  Physical Review X, 2, 041022 (2012).
  
• Aschauer U. and Selloni A.
  Hydrogen interaction with the anatase TiO2(101) surface
  Phys. Chem. Chem. Phys., 14, 16595-16602 (2012).
  
• Scaramucci A., Bousquet E., Fechner M., Mostovoy M. and Spaldin N.A.
  Linear magnetoelectric effect by orbital magnetism
  Physical Review Letters 109, 197203 (2012).
• Palacios M., Bowen P., Kappl M., Butt H-J., Stuer M., Pecharromán C., Aschauer U. and Puertas F.
  Repulsion forces of superplasticizers on ground granulated blast furnace slag in alkaline media, from AFM measurements to rheological properties
  Materiales de Construcción, 62, 308, 489-513 (2012).
  
• Weingart C., Spaldin N. and Bousquet E.;
  Non collinear magnetism and single ion anisotropy in multiferroic perovskites
  Phys. Rev. B 86, 094413 (2012).
  
• Djani H., Bousquet E., Abdelhafid K. and Ghosez Ph.;
  First-principles study of the ferroelectric Aurivillius phase Bi2WO6
  arXiv:1204.0671v3
  
• Sayre J.D., Delaney K.T. and Spaldin N.A.;
  Interplay between strain and oxygen vacancies in lanthanum aluminate
  arXiv:1202.1431v1
• Artyukhin S., Delaney K.T., Spaldin N.A. and Mostovoy M.;
  Landau theory of topological defects in multiferroic hexagonal manganites
  arXiv:1204.4126v1
• Franchini C., Kováčik R., Marsman M., Sathyanarayana Murthy S., He J., Ederer C. and Kresse G.
  Maximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and GW: an efficient route to construct ab-initio tight-binding parameters for eg perovskites
  J. Phys.: Condens. Matter 24, 235602 (2012).
  
• Grünebohn A., Siewert M., Entel P. and Ederer C.
  First principles study of the influence of (110) strain on the ferroelectric trends of TiO2
  Ferroelectrics, Vol. 429, Issue 1, (2012).
• Fritsch D. and Ederer C.
  First principles calculation of magnetoelastic coefficients and magnetostriction in the spinel ferrites CoFe2O4 and NiFe2O4
  Phys. Rev. B 86, 014406 (2012).
  
• Kovacik R., Werner Ph., Dymkowski K. and Ederer C.
  Rubidium superoxide: A p-electron Mott insulator
  Phys. Rev. B 86, 075130 (2012).
• Guitérrez D., Foerster M., Fina I., Fontcuberta J., Fritsch D. and Ederer C.
  Dielectric response of epitaxially strained CoFe2O4 spinel thin films
  Phys. Rev. B 86, 125309 (2012).
  
• Scheiber Ph., Fidler Martin, Dulub O., Schmid M., Diebold U., Hou W., Aschauer U. and Selloni A.;
  (Sub)Surface Mobility of Oxygen Vacancies at the TiO2 Anatase (101) Surface
  Physical Review Letters, 109, 136103 (2012).
• Rushchanskii K.Z., Spaldin N.A. and Lezaic M.
  First-principles prediction of oxygen octahedral rotations in perovskite-structure EuTio3
  Phys. Rev. B 85, 104109 (2012).
  
• Griffin S.M. and Spaldin N.A.
  Ab initio investigation of FeAs/GaAs heterostructures for potential spintronic and superconducting applications
  Phys. Rev. B 85, 155126 (2012).
• Kumagai Y., Belik A.A., Lilienblum M., Leo N., Fiebig M. and Spaldin N.A.;
  Observation of persistent centrosymmetricity in the hexagonal manganite family
  Phys. Rev. B 85, 174422 (2012).
• Meier D., Seidel J., Cano A., Delaney K., Kumagai Y., Mostovoy M., Spaldin N.A., Ramesh R. and Fiebig M.;
  Anisotropic conductance at improper ferroelectric domain walls
  Nature Materials, Vol. 11, April (2012).
• Amisi S., Bousquet E., Katcho K. and Ghosez Ph.;
  First-principles study of structural and vibrational properties of SrZrO3
  Phys. Rev. B 85, 064112 (2012).

2011

• Kim J.-H., van der Vegte M.A., Scaramucci A., Artyukhin S., Chung J.-H., Park S., Cheong S-W. Mostovoy M. and Lee S.-H.;
  Magnetic Excitations in the Low-Temperature Ferroelectric Phase of Multiferroic YMn2O5 Using Inelastic Neutron Scattering
  Physical Review Letters 107, 097401 (2011).
  
• Bousquet E. and Spaldin N.;
  Induced Magnetoelectric Response in Pnma Perovskites
  Physical Review Letters 107, 197603 (2011).
• Rondinelli J.M. and Spaldin N.A.;
  Structure and Properties of Functional Oxide Thin Films: Insights from Electronic-Structure Calculations
  Advanced Materials, 23 (30), 3363-3381 (2011).
• Stengel M., Aguado-Puente P., Spaldin N.A. and Junquera J.;
  Band alignment at metal/ferroelectric interfaces: Insights and artifacts from first principles
  Phys. Rev. B 83, 235112 (2011).
  
• Hammerl G. and Spaldin N.A.;
  Shedding Light on Oxide Interfaces
  Science 332, 925-926 (2011).
• Christen H.M., Nam J.H., Kim H.S., Hatt A.J. and Spaldin N.A.;
  Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films
  Physical Review B 83, 144107 (2011).
• Bousquet E., Spaldin N.A. and Delaney K.T.;
  Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity
  Physical Review Letters 106, 107202 (2011).
• Lezaic M. and Spaldin N.A.;
  High-temperature multiferroicity and strong magnetocrystalline anisotropy in 3d-5d double perovskites
  Physical Review B, 83, 2, 024410 (2011).