Publications
Showing entries 41 - 60 out of 192
2022
Birschitzky VC, Ellinger F, Diebold U, Reticcioli M, Franchini C. Machine learning for exploring small polaron configurational space. npj Computational Materials. 2022 Jun;8:125. doi: 10.48550/arXiv.2202.01042, 10.1038/s41524-022-00805-8
Meier M, Hulva J, Jakub Z, Kraushofer F, Bobić M, Bliem R et al. CO oxidation by Pt2/Fe3O4: Metastable dimer and support configurations facilitate lattice oxygen extraction. Science Advances. 2022 Apr 1;8(13):4580. doi: 10.1126/sciadv.abn4580
Reticcioli M, Diebold U, Franchini C. Modeling polarons in density functional theory: lessons learned from TiO2. Journal of Physics: Condensed Matter. 2022 Mar 14;34(20):204006. doi: 10.1088/1361-648X/ac58d7
Muhammad Z, Liu P, Ahmad R, Jalali-Asadabadi S, Franchini C, Ahmad I. Revealing the quasiparticle electronic and excitonic nature in cubic, tetragonal, and hexagonal phases of FAPbI(3). AIP Advances. 2022 Feb 23;12(2):025330. doi: 10.1063/5.0076738
2021
Pourovskii LV, Fiore Mosca D, Franchini C. Ferro-octupolar Order and Low-Energy Excitations in d2 Double Perovskites of Osmium. Physical Review Letters. 2021 Dec 3;127(23):237201. Epub 2021 Nov 30. doi: 10.1103/PhysRevLett.127.237201
Jakub Z, Meier M, Kraushofer F, Balajka J, Pavelec J, Schmid M et al. Rapid oxygen exchange between hematite and water vapor. Nature Communications. 2021 Nov 10;12(1):6488. doi: 10.1038/s41467-021-26601-4
Hahn T, Nagaosa N, Franchini C, Mishchenko AS. Diagrammatic quantum Monte Carlo study of an acoustic lattice polaron. Physical Review B. 2021 Oct 15;104(16):L161111. doi: 10.1103/PhysRevB.104.L161111
Ebad-Allah J, Rojewski S, Vöst M, Eickerling G, Scherer W, Uykur E et al. Pressure-Induced Excitations in the Out-of-Plane Optical Response of the Nodal-Line Semimetal ZrSiS. Physical Review Letters. 2021 Aug 11;127(7):076402. doi: 10.1103/PhysRevLett.127.076402
Averyanov DV, Liu P, Sokolov IS, Parfenov OE, Karateev IA, Di Sante D et al. Nanoscale synthesis of ionic analogues of bilayer silicene with high carrier mobility. Journal of Materials Chemistry C. 2021 Jul 21;9(27):8545-8551 . Epub 2021 May 24. doi: 10.1039/d1tc01951a
Varrassi L, Liu P, Ergönenc Yavas Z, Bokdam M, Kresse G, Franchini C. Optical and excitonic properties of transition metal oxide perovskites by the Bethe-Salpeter equation. Physical Review Materials. 2021 Jul 9;5(7):074601. doi: 10.1103/PhysRevMaterials.5.074601
Franchini C, Reticcioli M, Setvín M, Diebold U. Polarons in materials. Nature Reviews Materials. 2021 Jul;6(7):560–586. Epub 2021 Mar 19. doi: 10.1038/s41578-021-00289-w
Dirnberger D, Kresse G, Franchini C, Reticcioli M. Electronic State Unfolding for Plane Waves: Energy Bands, Fermi Surfaces, and Spectral Functions. Journal of Physical Chemistry C. 2021 Jun 17;125(23):12921–12928. doi: 10.1021/acs.jpcc.1c02318
Liu P, Franchini C. Advanced First-Principle Modeling of RelativisticRuddlesden—Popper Strontium Iridates. Applied Sciences (Switzerland). 2021 Mar 2;11(6):2527. doi: 10.3390/app11062527
Fiore Mosca D, Pourovskii LV, Kim BH, Liu P, Sanna S, Boscherini F et al. Interplay between multipolar spin interactions, Jahn-Teller effect, and electronic correlation in a Jeff= 3/2 insulator. Physical Review B. 2021 Mar 1;103(10):104401. doi: 10.1103/PhysRevB.103.104401
Hulva J, Meier M, Bliem R, Jakub Z, Kraushofer F, Schmid M et al. Unraveling CO adsorption on model single-atom catalysts. Science. 2021 Jan 22;371(6527):375-379. doi: 10.1126/science.abe5757
Ellinger F, Franchini C, Bellini V. Magnetic 3d adatoms on free-standing and Ni(111)-supported graphene. Physical Review Materials. 2021 Jan 12;5(1):014406. doi: 10.1103/PhysRevMaterials.5.014406
2020
Springer D, Kim B, Liu P, Khmelevskyi S, Adler S, Capone M et al. Osmates on the Verge of a Hund's-Mott Transition: The Different Fates of NaOsO3 and LiOsO3. Physical Review Letters. 2020 Oct 16;125(16):166402. doi: 10.1103/PhysRevLett.125.166402
Sereika R, Liu P, Kim B, Kim S, Zhang J, Chen B et al. Aberrant electronic and structural alterations in pressure tuned perovskite NaOsO3. npj Quantum Materials. 2020 Sept 16;5(1):66. doi: 10.1038/s41535-020-00269-3
Zagler G, Reticcioli M, Mangler C, Scheinecker D, Franchini C, Kotakoski J. CuAu, a hexagonal two-dimensional metal. 2D Materials. 2020 Aug 10;7(4):045017. doi: 10.1088/2053-1583/ab9c39
Kesavan JK, Fiore Mosca D, Sanna S, Borgatti F, Schuck G, Tran PM et al. Doping Evolution of the Local Electronic and Structural Properties of the Double Perovskite Ba2Na1-xCaxOsO6. Journal of Physical Chemistry C. 2020 Jul 8;124(30):16577-16585. doi: 10.1021/acs.jpcc.0c04807
Showing entries 41 - 60 out of 192