Publications
Showing entries 41 - 60 out of 180
2021
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 Sep 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
Sokolović I, Reticcioli M, Čalkovský M, Wagner M, Schmid M, Franchini C et al. Resolving the adsorption of molecular O2 on the rutile TiO2(110) surface by noncontact atomic force microscopy. Proceedings of the National Academy of Sciences of the United States of America (PNAS). 2020 Jun 30;117(26):14827-14837. doi: 10.1073/pnas.1922452117
Kim B, Khmelevskyi S, Franchini C, Mazin II, Kim K. SrRuO3-SrTiO3 heterostructure as a possible platform for studying unconventional superconductivity in Sr2RuO4. Physical Review B. 2020 Jun 8;101(22):220502. doi: 10.1103/PhysRevB.101.220502
Muhammad Z, Liu P, Ahmad R, Asadabadi SJ, Franchini C, Ahmad I. Tunable relativistic quasiparticle electronic and excitonic behavior of the FAPb(I1-xBrx)3 alloy. Physical Chemistry Chemical Physics. 2020 Jun 7;22(21):11943-11955. doi: 10.1039/d0cp00496k
Engel M, Marsman M, Franchini C, Kresse G. Electron-phonon interactions using the projector augmented-wave method and Wannier functions. Physical Review B. 2020 May 1;101(18):184302. doi: 10.1103/PhysRevB.101.184302
Liu P, He J, Kim B, Khmelevskyi S, Toschi A, Kresse G et al. Comparative ab initio study of the structural, electronic, magnetic, and dynamical properties of LiOsO3 and NaOsO3. Physical Review Materials. 2020 Apr 15;4(4):045001. doi: 10.1103/PhysRevMaterials.4.045001
Fuchs M, Liu P, Schwemmer T, Sangiovanni G, Thomale R, Franchini C et al. Kagome metal-organic frameworks as a platform for strongly correlated electrons. Journal of Physics: Materials. 2020 Apr;3(2):025001. doi: 10.1088/2515-7639/ab713b
Klimin S, Tempere J, Devreese JT, Franchini C, Kresse G. Optical Response of an Interacting Polaron Gas in Strongly Polar Crystals. Applied Sciences. 2020 Mar;10(6):2059. doi: 10.3390/app10062059
Ryan PTP, Meier M, Jakub Z, Balajka J, Hulva J, Payne DJ et al. Probing structural changes upon carbon monoxide coordination to single metal adatoms. Journal of Chemical Physics. 2020 Feb 7;152(5):051102. doi: 10.1063/1.5137904
Bernardini F, Boeri L, Floris A, Franchini C, Profeta G, Sanna A. Special issue on novel superconducting and magnetic materials. Journal of Physics: Condensed Matter. 2020 Jan 23;32(4):040401. doi: 10.1088/1361-648X/ab4cbe
Liu P, Franchini C, Marsman M, Kresse G. Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO. Journal of Physics: Condensed Matter. 2020 Jan 1;32(1):015502. 015502. Epub 2019 Oct 11. doi: 10.1088/1361-648X/ab4150
Reticcioli M, Diebold U, Kresse G, Franchini C. Small Polarons in Transition Metal Oxides. In Handbook of Materials Modeling: Applications: Current and Emerging Materials, Second Edition. Springer International Publishing AG . 2020. p. 1035-1073 doi: 10.1007/978-3-319-44680-6_52
2019
Belviso F, Claerbout VEP, Comas-Vives A, Dalal NS, Fan FR, Filippetti A et al. Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications. Inorganic Chemistry. 2019 Nov 18;58(22):14939-14980. doi: 10.1021/acs.inorgchem.9b01785
Showing entries 41 - 60 out of 180