Publications
Showing entries 81 - 100 out of 193
2019
Ma JZ, Nie SM, Yi CJ, Jandke J, Shang T, Yao MY et al. Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCd2As2. Science Advances. 2019 Jul 12;5(7):4718. doi: 10.1126/sciadv.aaw4718
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
Showing entries 81 - 100 out of 193