D&D5 - Correlated Oxides
Group Leaders
Related publications (until January 2021)
- S. Beck, C. Ederer, Tailoring interfacial properties in CaVO3 thin films and heterostructures with SrTiO3 and LaAlO3: a DFT+DMFT study, Physical Review Materials 4, 125002 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Ederer / Project(s): DD5 - A. Hampel, S. Beck, C. Ederer, Effect of charge self-consistency in DFT+DMFT calculations for complex transition metal oxides, Physical Review Research 2, 033088 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Ederer / Project(s): DD5 - F. Petocchi, V. Christiansson, F. Nilsson, F. Aryasetiawan, P. Werner, Normal state of Nd1-xSrxNiO2 from self-consistent GW+EDMFT, Physical Review X 10, 041047 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Werner / Project(s): DD5 - C. Ricca, N. Niederhauser, U. Aschauer, Local polarization in oxygen-deficient LaMnO3 induced by charge localization in the Jahn-Teller distorted structure, Physical Review Research 2, 042040 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Aschauer / Project(s): DD5 - C. Ricca, I. Timrov, M. Cococcioni, N. Marzari, U. Aschauer, Self-consistent DFT+U+V study of oxygen vacancies in SrTiO3, Physical Review Research 2, 023313 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Aschauer, Marzari / Project(s): DD5, DD3 - F. Petocchi, F. Nilsson, F. Aryasetiawan, P. Werner, Screening from eg states and antiferromagnetic correlations in d(1,2,3) perovskites: A GW+EDMFT investigation, Physical Review Research 2, 013191 (2020). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Werner / Project(s): DD5 - M. Schueler, D. Golez, Y. Murakami, N. Bittner, A. Herrmann, H. Strand, P. Werner, M. Eckstein, NESSi: The Non-Equilibrium Systems Simulation package, Computer Physics Communications 257, 107484 (2020). [Open Access URL]
Group(s): Werner / Project(s): DD5 - M. Schueler, U. De Giovannini, H. Huebener, A. Rubio, M. Sentef, T. Devereaux, P. Werner, How Circular Dichroism in time- and angle-resolved photoemission can be used to spectroscopically detect transient topological states in graphene, Physical Review X 10, 041013 (2020). [Open Access URL]
Group(s): Werner / Project(s): DD5 - M. Schueler, U. De Giovannini, H. Huebener, A. Rubio, M. Sentef, P. Werner, Local Berry curvature signatures in dichroic angle-resolved photoelectron spectroscopy, Science Advances 6, eaay2730 (2020). [Open Access URL]
Group(s): Werner / Project(s): DD5 - A. Kim, P. Werner, R. Valenti, Alleviating the Sign Problem in Quantum Monte Carlo Simulations of Spin-Orbit-Coupled Multi-Orbital Hubbard Models, Physical Review B 101, 045108 (2020). [Open Access URL]
Group(s): Werner / Project(s): DD5 - Y. Murakami, M. Schueler, S. Takayoshi, P. Werner, Ultrafast nonequilibrium evolution of excitonic modes in semiconductors, Physical Review B 101, 035203 (2020). [Open Access URL]
Group(s): Werner / Project(s): DD5 - K. Sandholzer, Y. Murakami, F. Görg, J. Minguzzi, M. Messer, R. Desbuquois, M. Eckstein, P. Werner, T. Esslinger, Quantum Simulation Meets Nonequilibrium Dynamical Mean-Field Theory: Exploring the Periodically Driven, Strongly Correlated Fermi-Hubbard Model, Physical Review Letters 123, 193602 (2019). [Open Access URL]
Group(s): Werner / Project(s): DD5 - S. Beck, C. Ederer, Charge transfer in LaVO3/LaTiO3 multilayers: Strain-controlled dimensionality of interface metallicity between two Mott insulators, Physical Review Materials 3, 095001 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Ederer / Project(s): DD5 - F. Petocchi, S. Beck, C. Ederer, P. Werner, Hund excitations and the efficiency of Mott solar cells, Physical Review B 100, 075147 (2019). [Open Access URL]
Group(s): Ederer, Werner / Project(s): DD5 - J. Souto-Casares, N. A. Spaldin, C. Ederer, DFT+DMFT study of oxygen vacancies in a Mott insulator, Physical Review B 100, 085146 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Ederer, Spaldin / Project(s): DD5 - H. Shinaoka, Y. Motome, T. Miyake, S. Ishibashi, P. Werner, First-principles studies of spin-orbital physics in pyrochlore oxides, Journal of Physics: Condensed Matter 31, 323001 (2019). [Open Access URL]
Group(s): Werner / Project(s): DD5 - M. Schüler, J. C. Budich, P. Werner, Quench dynamics and Hall response of interacting Chern insulators, Physical Review B 100, 041101 (2019). [Open Access URL]
Group(s): Werner / Project(s): DD5 - O. E. Peil, A. Hampel, C. Ederer, A. Georges, Mechanism and control parameters of the coupled structural and metal-insulator transition in nickelates, Physical Review B 99, 245127 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Ederer, Georges / Project(s): VP1, DD5 - M. Campanini, M. Trassin, C. Ederer, R. Erni, M. D. Rossell, Buried In-Plane Ferroelectric Domains in Fe-Doped Single-Crystalline Aurivillius Thin Films, ACS Applied Electronic Materials 1, 1019–1028 (2019).
Group(s): Ederer, Rossell / Project(s): DD5, PP7 - C. Ricca, I. Timrov, M. Cococcioni, N. Marzari, U. Aschauer, Self-consistent site-dependent DFT+U study of stoichiometric and defective SrMnO3, Physical Review B 99, 094102 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Aschauer, Marzari / Project(s): DD5, DD3 - D. Sutter, M. Kim, C. E. Matt, M. Horio, R. Fittipaldi, A. Vecchione, V. Granata, K. Hauser, Y. Sassa, G. Gatti, M. Grioni, M. Hoesch, T. K. Kim, E. Rienks, N. C. Plumb, M. Shi, T. Neupert, A. Georges, J. Chang, Orbitally selective breakdown of Fermi liquid quasiparticles in Ca1.8Sr0.2RuO4, Physical Review B 99, 121115 (2019). [Open Access URL]
Group(s): Shi, Georges / Project(s): DD5, VP1 - A. Hampel, P. Liu, C. Franchini, C. Ederer, Energetics of the coupled electronic-structural transition in the rare-earth nickelates, npj Quantum Materials 4, 5 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Ederer / Project(s): DD5 - D. J. Gawryluk, Y. M. Klein, T. Shang, D. Scheptyakov, L. Keller, N. Casati, P. Lacorre, M. T. Fernández-Díaz, J. Rodríguez-Carvajal, M. Medarde, Distortion mode anomalies in bulk PrNiO3: Illustrating the potential of symmetry-adapted distortion mode analysis for the study of phase transitions, Physical Review B 100, 205137 (2019). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Medarde / Project(s): DD5 - N. S. Fedorova, Y. W. Windsor, C. Findler, M. Ramakrishnan, A. Bortis, L. Rettig, K. Shimamoto, E. M. Bothschafter, M. Porer, V. Esposito, Y. Hu, A. Alberca, T. Lippert, C. W. Schneider, U. Staub, N. A. Spaldin, Relationship between crystal structure and multiferroic orders in orthorhombic perovskite manganites, Physical Review Materials 2, 104414 (2018). [Open Access URL]
Group(s): Spaldin, Staub / Project(s): PP7, VP1, DD5 - M. Porer, M. Fechner, E. M. Bothschafter, L. Rettig, M. Savoini, V. Esposito, J. Rittmann, M. Kubli, M. J. Neugebauer, E. Abreu, T. Kubacka, T. Huber, G. Lantz, S. Parchenko, S. Grübel, A. Paarmann, J. Noack, P. Beaud, G. Ingold, U. Aschauer, S. L. Johnson, U. Staub, Ultrafast Relaxation Dynamics of the Antiferrodistortive Phase in Ca Doped SrTiO3, Physical Review Letters 121, 055701 (2018).
Group(s): Aschauer, Staub / Project(s): PP7, DD5 - Y. Murakami, P. Werner, Nonequilibrium steady states of electric field driven Mott insulators, Physical Review B 98, 075102 (2018). [Open Access URL]
Group(s): Werner / Project(s): DD5 - Y. Murakami, M. Eckstein, P. Werner, High-Harmonic Generation in Mott Insulators, Physical Review Letters 121, 057405 (2018). [Open Access URL]
Group(s): Werner / Project(s): DD5 - M. Schüler, M. Eckstein, P. Werner, Truncating the memory time in nonequilibrium dynamical mean field theory calculations, Physical Review B 97, 245129 (2018). [Open Access URL]
Group(s): Werner / Project(s): DD5 - P. Werner, H. U. R. Strand, S. Hoshino, Y. Murakami, M. Eckstein, Enhanced pairing susceptibility in a photodoped two-orbital Hubbard model, Physical Review B 97, 165119 (2018). [Open Access URL]
Group(s): Werner / Project(s): DD5 - M. Schüler, Y. Murakami, P. Werner, Nonthermal switching of charge order: Dynamical slowing down and optimal control, Physical Review B 97, 155136 (2018). [Open Access URL]
Group(s): Werner / Project(s): DD5 - M. Schüler, Y. Pavlyukh, Spectral properties from Matsubara Green's function approach: Application to molecules, Physical Review B 97, 115164 (2018). [Open Access URL]
Group(s): Werner / Project(s): DD5 - U. Aschauer, Surface and Defect Chemistry of Oxide Materials, CHIMIA 72, 286–290 (2018). [Open Access URL]
Group(s): Aschauer / Project(s): DD5 - S. Beck, G. Sclauzero, U. Chopra, C. Ederer, Metal-insulator transition in CaVO3 thin films: Interplay between epitaxial strain, dimensional confinement, and surface effects, Physical Review B 97, 075107 (2018). [Open Access URL]
Group(s): Ederer / Project(s): DD5