Publications
Showing entries 101 - 120 out of 180
2016
An H, Han JY, Kim B, Song J, Jeong SY, Franchini C et al. Large enhancement of the photovoltaic effect in ferroelectric complex oxides through bandgap reduction. Scientific Reports. 2016 Jun 17;6:28313. doi: 10.1038/srep28313
Reticcioli M, Profeta G, Franchini C, Continenza A. Effective band structure of Ru-doped BaFe2As2. Journal of Physics: Conference Series. 2016 Mar 1;689(1):012027. doi: 10.1088/1742-6596/689/1/012027
Kovacik R, Murthy SS, Quiroga CE, Ederer C, Franchini C. Combined first-principles and model Hamiltonian study of the perovskite series RMnO3 (R = La,Pr,Nd,Sm,Eu, and Gd). Physical Review B. 2016 Feb 19;93(7):075139. doi: 10.1103/PhysRevB.93.075139
He J, Franchini C, Rondinelli JM. Lithium Niobate-Type Oxides as Visible Light Photovoltaic Materials. Chemistry of Materials. 2016 Jan 12;28(1):25–29. Epub 2015 Dec 8. doi: 10.1021/acs.chemmater.5b03356
Moses PG, Janotti A, Franchini C, Kresse G, Van de Walle CG. Donor defects and small polarons on the TiO2(110) surface. Journal of Applied Physics. 2016;119(18):181503. doi: 10.1063/1.4948239
Kim B, Liu P, Ergönenc Z, Toschi A, Khmelevskyi S, Franchini C. Lifshitz transition driven by spin fluctuations and spin-orbit renormalization in NaOsO3. Physical Review B. 2016;94(24):241113. doi: 10.1103/PhysRevB.94.241113
2015
Liu P, Khmelevskyi S, Kim B, Marsman M, Li D, Chen X-Q et al. Anisotropic magnetic couplings and structure-driven canted to collinear transitions in Sr2IrO4 by magnetically constrained noncollinear DFT. Physical Review B. 2015 Aug 19;92(5):054428. doi: 10.1103/PhysRevB.92.054428
Hao X, Xu Y, Franchini C, Gao F. Covalent effects in magnetic ferroelectrics MnMO3 (M = Ti, Sn). Physica Status Solidi. B: Basic Research. 2015 Mar;252(3):626-634. doi: 10.1002/pssb.201451476
Amann P, Cordin M, Goetsch T, Menzel A, Bertel E, Redinger J et al. Halogen Phases on Pd(110): Compression Structures, Domain Walls, and Corrosion. The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces). 2015 Feb 19;119(7):3613-3623. doi: 10.1021/jp512268u
Hao X, Wang Z, Schmid M, Diebold U, Franchini C. Coexistence of trapped and free excess electrons in SrTiO3. Physical Review B. 2015 Feb 12;91(8):085204. doi: 10.1103/PhysRevB.91.085204
2014
Stroppa A, Di Sante D, Barone P, Bokdam M, Kresse G, Franchini C et al. Tunable ferroelectric polarization and its interplay with spin–orbit coupling in tin iodide perovskites. Nature Communications. 2014 Dec 23;5:5900. doi: 10.1038/ncomms6900
Setvin M, Franchini C, Hao X, Daniel B, Schmid MA, Kresse G et al. Small and Large Polarons in TiO2 Rutile and anatase. 2014 Sep 1.
Wang Z, Hao X, Gerhold S, Mares P, Wagner M, Bliem R et al. Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Overlayer at the SrTiO3(110) Surface. The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces). 2014 Aug 28;118(34):19904-19909. doi: 10.1021/jp506234r
Setvin M, Franchini C, Hao X, Schmid M, Janotti A, Kaltak M et al. Direct View at Excess Electrons in TiO2 Rutile and Anatase. Physical Review Letters. 2014 Aug 18;113(8):086402. doi: 10.1103/PhysRevLett.113.086402
Wang Z, Hao X, Gerhold S, Schmid M, Franchini C, Diebold U. Vacancy clusters at domain boundaries and band bending at the SrTiO3(110) surface. Physical Review B. 2014 Jul 23;90(3):035436. doi: 10.1103/PhysRevB.90.035436
He J, Franchini C. Erratum: Screened hybrid functional applied to 3d0→3d8 transition-metal perovskites LaM O3 (M=Sc-Cu): Influence of the exchange mixing parameter on the structural, electronic, and magnetic properties (Physical Review B - Condensed Matter and Materials Physics (2012) 86 (235117)). Physical Review B. 2014 Jul 22;90(3):039907. doi: 10.1103/PhysRevB.90.039907
Franchini C. Hybrid functionals applied to perovskites. Journal of Physics: Condensed Matter. 2014 Jun 25;26(25):253202. doi: 10.1088/0953-8984/26/25/253202
Geiger P, Dellago C, Macher M, Franchini C, Kresse G, Bernard J et al. Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations. The Journal of Physical Chemistry Part C (Nanomaterials and Interfaces). 2014 May 22;118(20):10989-10997. doi: 10.1021/jp500324x
Setvin M, Hao X, Daniel B, Pavelec J, Novotny Z, Parkinson GS et al. Charge Trapping at the Step Edges of TiO2 Anatase (101). Angewandte Chemie (International Edition). 2014 Apr 25;53(18):4714-4716. doi: 10.1002/anie.201309796
Setvin M, Franchini C, Hao X, Daniel B, Schmid MA, Kresse G et al. Small and Large Polarons in TiO2 Rutile and anatase. 2014 Mar 20.
Showing entries 101 - 120 out of 180