Publications
Showing entries 81 - 100 out of 180
2018
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 X-Q, 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 Sep 25;7(3):031053. doi: 10.1103/PhysRevX.7.031053
Govinda S, Kore BP, Bokdam M, Mahale P, Kumar A, Pal S et al. Behavior of Methylammonium Dipoles in MAPbX(3) (X = Br and I). The Journal of Physical Chemistry Letters. 2017 Sep 7;8(17):4113-4121. doi: 10.1021/acs.jpclett.7b01740
Di Sante D, Das PK, Bigi C, Ergönenc Z, N. G, Krieger JA et al. Three-Dimensional Electronic Structure of the Type-II Weyl Semimetal WTe2. Physical Review Letters. 2017 Jul 14;119(2):026403. doi: 10.1103/PhysRevLett.119.026403
Smolyanyuk A, Boeri L, Franchini C. Ab initio prediction of the high-pressure phase diagram of BaBiO3. Physical Review B. 2017 Jul 5;96(3):035103. doi: 10.1103/PhysRevB.96.035103
Reticcioli M, Profeta G, Franchini C, Continenza A. Ru doping in iron-based pnictides: The "unfolded" dominant role of structural effects for superconductivity. Physical Review B. 2017 Jun 20;95(21):214510. doi: 10.1103/PhysRevB.95.214510
He J, Franchini C, Rondinelli JM. Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering. Chemistry of Materials. 2017 Mar 28;29(6):2445–2451. Epub 2016 Oct 26. doi: 10.1021/acs.chemmater.6b03486
Kim B, Liu P, Franchini C. Dimensionality-strain phase diagram of strontium iridates. Physical Review B. 2017 Mar 7;95(11):115111. doi: 10.1103/PhysRevB.95.115111
Kim B, Liu P, Franchini C. Magnetic properties of bilayer Sr3Ir2O7: role of epitaxial strain and oxygen vacancies. Physical Review B. 2017 Jan 6;95(2):024406. doi: 10.1103/PhysRevB.95.024406
Kim B, Khmelevskyi S, Mazin II, Agterberg DF, Franchini C. Anisotropy of magnetic interactions and symmetry of the order parameter in unconventional superconductor Sr2RuO4. npj Quantum Materials. 2017;2(1):37. doi: 10.1038/s41535-017-0041-8
2016
Lahnsteiner J, Kresse G, Kumar A, Sarma DD, Franchini C, Bokdam M. Room Temperature Dynamic Correlation between Methylammonium Molecules in Lead-Iodine Based Perovskites: an Ab-initio Molecular Dynamics Perspective. Physical Review B. 2016 Dec 28;94(21):214114 . doi: 10.1103/PhysRevB.94.214114
Liu P, Reticcioli M, Kim B, Continenza A, Kresse G, Sarma DD et al. Electron and hole doping in the relativistic Mott insulator Sr2IrO4: A first-principles study using band unfolding technique. Physical Review B. 2016 Nov 28;94(19):195145. doi: 10.1103/PhysRevB.94.195145
Li R, Xu Y, He J, Ullah S, Li J, Liu J-M et al. Weyl Ferroelectric Semimetal. arXiv.org. 2016 Oct 23.
Bokdam M, Sander T, Stroppa A, Picozzi S, Sarma DD, Franchini C et al. Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites. Scientific Reports. 2016 Jun 28;6:28618. doi: 10.1038/srep28618
Showing entries 81 - 100 out of 180