Publications
Showing entries 81 - 100 out of 192
2019
Dobrovits S, Kim B, Reticcioli M, Toschi A, Khmelevskyi S, Franchini C. Doping-induced insulator-metal transition in the Lifshitz magnetic insulator NaOsO3. Journal of Physics: Condensed Matter. 2019 Jun 19;31(24):244002. doi: 10.1088/1361-648X/ab0dc4
Hampel A, Liu P, Franchini C, Ederer C. Energetics of the coupled electronic–structural transition in the rare-earth nickelates. npj Quantum Materials. 2019 Feb 6;4(1):5. doi: 10.1038/s41535-019-0145-4
Reticcioli M, Sokolovic I, Schmid M, Diebold U, Setvin M, Franchini C. Interplay between Adsorbates and Polarons: CO on Rutile TiO2(110). Physical Review Letters. 2019 Jan 9;122(1):016805. doi: 10.1103/PhysRevLett.122.016805
Reticcioli M, Diebold U, Kresse G, Franchini C. Small Polarons in Transition Metal Oxides. In Handbook of Materials Modeling. Springer. 2019 Epub 2018 Dec 26. doi: 10.1007/978-3-319-50257-1_52-1
2018
Smolyanyuk A, Franchini C, Boeri L. Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure. Physical Review B. 2018 Sept 27;98(11):115158. doi: 10.1103/PhysRevB.98.115158
Riva M, Kubicek M, Hao X, Franceschi G, Gerhold S, Schmid M et al. Influence of surface atomic structure demonstrated on oxygen incorporation mechanism at a model perovskite oxide. Nature Communications. 2018 Sept 13;9(1):3710. doi: 10.1038/s41467-018-05685-5
Kim B, Liu P, Tomczak JM, Franchini C. Strain-induced tuning of the electronic Coulomb interaction in 3d transition metal oxide perovskites. Physical Review B. 2018 Aug 16;98(7):075130. doi: 10.1103/PhysRevB.98.075130
Liu P, Kim B, Chen XQ, Sarma DD, Kresse G, Franchini C. Relativistic GW +BSE study of the optical properties of Ruddlesden-Popper iridates. Physical Review Materials. 2018 Jul 31;2(7):075003. doi: 10.1103/PhysRevMaterials.2.075003
Reticcioli M, Setvin M, Schmid M, Diebold U, Franchini C. Formation and dynamics of small polarons on the rutile TiO2(110) surface. Physical Review B. 2018 Jul 20;98(4):045306. doi: 10.1103/PhysRevB.98.045306
Ryan PTP, Jakub Z, Balajka J, Hulva J, Meier M, Küchle JT et al. Direct measurement of Ni incorporation into Fe3O4(001). Physical Chemistry Chemical Physics. 2018 Jun 28;20(24):16469-16476. doi: 10.1039/c8cp02516a
Meier M, Hulva J, Jakub Z, Pavelec J, Setvin M, Bliem R et al. Water agglomerates on Fe3O4(001). Proceedings of the National Academy of Sciences of the United States of America (PNAS). 2018 Jun 19;115(25):E5642-E5650. doi: 10.1073/pnas.1801661115
Hahn T, Klimin S, Tempere J, Devreese JT, Franchini C. Diagrammatic Monte Carlo study of Fröhlich polaron dispersion in two and three dimensions. Physical Review B. 2018 Apr 20;97(13):134305. doi: 10.1103/PhysRevB.97.134305
Meier M, Jakub Z, Balajka J, Hulva J, Bliem R, Thakur PK et al. Probing the geometry of copper and silver adatoms on magnetite: quantitative experiment versus theory. Nanoscale. 2018 Feb 7;10(5):2226-2230. doi: 10.1039/c7nr07319d
Ergönenc Z, Kim B, Liu P, Kresse G, Franchini C. Converged GW quasiparticle energies for transition metal oxide perovskites. Physical Review Materials. 2018 Feb 5;2(2):024601. doi: 10.1103/PhysRevMaterials.2.024601
He J, Di Sante D, Li R, Chen XQ, Rondinelli JM, Franchini C. Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide. Nature Communications. 2018 Feb 5;9:492. doi: 10.1038/s41467-017-02814-4
Setvin M, Reticcioli M, Poelzleitner F, Hulva J, Schmid M, Boatner LA et al. Polarity compensation mechanisms on the perovskite surface KTaO3(001). Science. 2018 Feb 2;359(6375):572-575. doi: 10.1126/science.aar2287
2017
Kim B, Khmelevskyi S, Mohn P, Franchini C. Competing magnetic interactions in a spin-1/2 square lattice: Hidden order in Sr2VO4. Physical Review B. 2017 Nov 8;96(18):180405. doi: 10.1103/PhysRevB.96.180405
He J, Franchini C. Assessing the performance of self-consistent hybrid functional for band gap calculation in oxide semiconductors. Journal of Physics Condensed Matter. 2017 Oct 20;29(45):454004. doi: 10.1088/1361-648X/aa867e
Hu S, Gao H, Qi Y, Tao Y, Li Y, Reimers JR et al. Dipole Order in Halide Perovskites: Polarization and Rashba Band Splittings. The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces). 2017 Oct 19;121(41):23045-23054. doi: 10.1021/acs.jpcc.7b05929
Reticcioli M, Setvin M, Hao X, Flauger P, Kresse G, Schmid M et al. Polaron-Driven Surface Reconstructions. Physical Review X. 2017 Sept 25;7(3):031053. doi: 10.1103/PhysRevX.7.031053
Showing entries 81 - 100 out of 192