Publications (47)
Magnetism in systems with various dimensionality: A comparison between Fe and Co
Claude Ederer, Matej Komelj, Manfred Faehnle
An experimental and computational investigation of structure and magnetism in pyrite Co$_{1-x}$Fe$_x$S$_2$: Chemical bonding and half-metallicity
K. Ramesha, Ram Seshadri, Claude Ederer +2
Structural and electronic properties of epitaxially-strained LaVO_3 from density functional theory and dynamical mean-field theory
Gabriele Sclauzero, Claude Ederer
Strain-Induced Magnetic Anisotropy in Epitaxial Thin Films of the Spinel CoCr$_2$O$_4$
Jeroen A. Heuver, Andrea Scaramucci, Yves Blickenstorfer +4
From the bulk to monatomic wires: An ab-initio study of magnetism in Co systems with various dimensionality
Matej Komelj, Claude Ederer, James W. Davenport +1
Rubidium superoxide: a p-electron Mott insulator
Roman Kovacik, Philipp Werner, Krzysztof Dymkowski +1
Tuning the caloric response of BaTiO$_3$ by tensile epitaxial strain
Anna Grünebohm, Madhura Marathe, Claude Ederer
Combined first-principles and model Hamiltonian study of the perovskite series RMnO3 (R = La, Pr, Nd, Sm, Eu and Gd)
Roman KováÄik, Sowmya Sathyanarayana Murthy, Carmen E. Quiroga +2
Effect of epitaxial strain on the spontaneous polarization of thin film ferroelectrics
Claude Ederer, Nicola A. Spaldin
The electrocaloric effect in BaTiO$_3$ at all three ferroelectric transitions: anisotropy and inverse caloric effects
Madhura Marathe, Damian Renggli, Mehmet Sanlialp +5
Electrocaloric effect in BaTiO$_3$: a first-principles-based study on the effect of misfit strain
Madhura Marathe, Claude Ederer
First-principles investigation of incipient ferroelectric trends of rutile TiO$_2$ in bulk and at the (110) surface
Anna Grünebohm, Peter Entel, Claude Ederer
Electric-field switchable magnetization via the Dzyaloshinskii-Moriya interaction: FeTiO_3 versus BiFeO_3
Claude Ederer, Craig J. Fennie
Weak ferromagnetism and magnetoelectric coupling in bismuth ferrite
Claude Ederer, Nicola A. Spaldin
Effect of Hubbard U on the construction of low energy Hamiltonians for LaMnO_3 via maximally localized Wannier functions
Roman Kovacik, Claude Ederer
Anisotropy of the orbital methods and the magnetic dipole term $T_z$ in ${\rm CrO_2}$: An {\it ab-initio} studt
Matej Komelj, Claude Ederer, Manfred Faehnle
Interplay between breathing mode distortion and magnetic order in rare-earth nickelates $R$NiO$_3$ within DFT+$U$
Alexander Hampel, Claude Ederer
Spin-filtering efficiency of ferrimagnetic spinels CoFe2O4 and NiFe2O4
Nuala M. Caffrey, Daniel Fritsch, Thomas Archer +2
The potentially multiferroic Aurivillius phase Bi$_5$FeTi$_3$O$_{15}$: cation site preference, electric polarization, and magnetic coupling from first principles
Axiel Yaël Birenbaum, Claude Ederer
Recent progress in first-principles studies of magnetoelectric multiferroics
Claude Ederer, Nicola A. Spaldin
Origin of ferroelectricity in the multiferroic barium fluorides BaMF4
Claude Ederer, Nicola A. Spaldin
Toroidal moments as indicator for magneto-electric coupling: the case of BiFeO_3 versus FeTiO_3
Claude Ederer
Ab initio phase diagram of BaTiO$_3$ under epitaxial strain revisited
Anna Grünebohm, Madhura Marathe, Claude Ederer
Correlation effects in p-electron magnets: the case of RbO_2
Roman Kovacik, Claude Ederer
First-principles study of the influence of (110) strain on the ferroelectric trends of TiO$_2$
Anna Grünebohm, Mario Siewert, Peter Entel +1
Energetics of the coupled electronic-structural transition in the rare-earth nickelates
Alexander Hampel, Peitao Liu, Cesare Franchini +1
Metal-insulator transition in CaVO$_3$ thin films: interplay between epitaxial strain, dimensional confinement, and surface effects
Sophie Beck, Gabriele Sclauzero, Uday Chopra +1
Mechanism and Control Parameters of the Coupled Structural and Metal-Insulator Transition in Nickelates
Oleg E. Peil, Alexander Hampel, Claude Ederer +1
The impact of hysteresis on the electrocaloric effect at first-order phase transitions
Madhura Marathe, Claude Ederer, Anna Grünebohm
Controlling the cation distribution and electric polarization with epitaxial strain in Aurivillius-phase Bi$_5$FeTi$_3$O$_{15}$
Axiel Yaël Birenbaum, Claude Ederer
Effect of epitaxial strain on the cation distribution in spinel ferrites CoFe2O4 and NiFe2O4: a density functional theory study
Daniel Fritsch, Claude Ederer
First-Principles-Based Strain and Temperature Dependent Ferroic Phase Diagram of SrMnO$_3$
Alexander Edström, Claude Ederer
Structural distortions and model Hamiltonian parameters: from LSDA to a tight-binding description of LaMnO_3
Claude Ederer, Chungwei Lin, Andrew J. Millis
First principles-based calculation of the electrocaloric effect in BaTiO$_3$: comparison between direct and indirect methods
Madhura Marathe, Anna Grünebohm, Takeshi Nishimatsu +2
Towards a microscopic theory of toroidal moments in bulk periodic crystals
Claude Ederer, Nicola A. Spaldin
First principles study of the multiferroics BiFeO$_{3}$, Bi$_{2}$FeCrO$_{6}$, and BiCrO$_{3}$: Structure, polarization, and magnetic ordering temperature
Pio Baettig, Claude Ederer, Nicola A. Spaldin
First Principles Studies of Multiferroic Materials
Silvia Picozzi, Claude Ederer
Magnetic coupling in CoCr_2O_4 and MnCr_2O_4: an LSDA+U study
Claude Ederer, Matej Komelj
Epitaxial strain effects in the spinel ferrites CoFe2O4 and NiFe2O4 from first principles
Daniel Fritsch, Claude Ederer
Calculation of model Hamiltonian parameters for LaMnO_3 using maximally localized Wannier functions
Roman Kovacik, Claude Ederer
First-principles calculation of magnetoelastic coefficients and magnetostriction in the spinel ferrites CoFe2O4 and NiFe2O4
Daniel Fritsch, Claude Ederer
Influence of strain and oxygen vacancies on the magnetoelectric properties of multiferroic bismuth ferrite
Claude Ederer, Nicola A. Spaldin
Biquadratic and ring exchange interactions in orthorhombic perovskite manganites
Natalya S. Fedorova, Claude Ederer, Nicola A. Spaldin +1
Magnetic order in 4-layered Aurivillius Phases
Axiel Yaël Birenbaum, Andrea Scaramucci, Claude Ederer
Tuning the metal-insulator transition in d^1 and d^2 perovskites by epitaxial strain: a first principles-based study
Gabriele Sclauzero, Krzysztof Dymkowski, Claude Ederer
Strain-induced insulator-to-metal transition in LaTiO3 within DFT+DMFT
Krzysztof Dymkowski, Claude Ederer
Mechanism of ferroelectric instabilities in non d^0 perovskites: LaCrO_3 versus CaMnO_3
Claude Ederer, Tim Harris, Roman Kovacik