Lahnsteiner, Jonathan; Kresse, Georg; Kumar, Abhinav; Sarma, D.D.; Franchini, Cesare; Bokdam, Menno, Room-temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab initio molecular dynamics perspective, «PHYSICAL REVIEW. B», 2016, 94, Article number: 214114 , pp. 1 - 10 [Scientific article]
Liu P; Khmelevskyi S; Kim B; Marsman M; Li DZ; Chen XQ; Sarma DD; Kresse G; Franchini C, Anisotropic magnetic couplings and structure-driven canted to collinear transitions in Sr2IrO4 by magnetically constrained noncollinear DFT, «PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS», 2015, 92, pp. 1 - 6 [Scientific article]
Hao XF; Wang ZM; Schmid M; Diebold U; Franchini C, Coexistence of trapped and free excess electrons in SrTiO3, «PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS», 2015, 91, pp. 1 - 6 [Scientific article]
Hao XF; Xu YH; Franchini C; Gao FM, Covalent effects in magnetic ferroelectrics MnMO3 (M = Ti, Sn), «PHYSICA STATUS SOLIDI B-BASIC RESEARCH», 2015, 252, pp. 626 - 634 [Scientific article]
Amann P; Cordin M; Gotsch T; Menzel A; Bertel E; Redinger J; Franchini C, Halogen Phases on Pd(110): Compression Structures, Domain Walls, and Corrosion, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2015, 119, pp. 3613 - 3623 [Scientific article]
Wang ZM; Zhong ZC; Hao XF; Gerhold S; Stoger B; Schmid M; Sanchez-Barriga J; Varykhalov A; Franchini C; Held K; Diebold U, Anisotropic two-dimensional electron gas at SrTiO3(110), «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2014, 111, pp. 3933 - 3937 [Scientific article]
Setvin M; Hao XF; Daniel B; Pavelec J; Novotny Z; Parkinson GS; Schmid M; Kresse G; Franchini C; Diebold U, Charge Trapping at the Step Edges of TiO2 Anatase (101), «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2014, 53, pp. 4714 - 4716 [Scientific article]
Oberkalmsteiner N; Cordin M; Duerrbeck S; Bertel E; Redinger J; Franchini C, Degenerate Phases of Iodine on Pt(110) at Half-Monolayer Coverage, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2014, 118, pp. 29919 - 29927 [Scientific article]
Setvin M; Franchini C; Hao XF; Schmid M; Janotti A; Kaltak M; Van de Walle CG; Kresse G; Diebold U, Direct View at Excess Electrons in TiO2 Rutile and Anatase, «PHYSICAL REVIEW LETTERS», 2014, 113, pp. 1 - 5 [Scientific article]
Cordin M; Lechner BAJ; Duerrbeck S; Menzel A; Bertel E; Redinger J; Franchini C, Experimental observation of defect pair separation triggering phase transitions, «SCIENTIFIC REPORTS», 2014, 4, Article number: 4110 , pp. 1 - 4 [Scientific article]Open Access
Franchini C, Hybrid functionals applied to perovskites, «JOURNAL OF PHYSICS. CONDENSED MATTER», 2014, 26, pp. 1 - 17 [Scientific article]
Geiger P; Dellago C; Macher M; Franchini C; Kresse G; Bernard J; Stern JN; Loerting T, Proton Ordering of Cubic Ice Ic: Spectroscopy and Computer Simulations, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2014, 118, pp. 10989 - 10997 [Scientific article]
Wang; ZM; Hao XF; Gerhold S; Mares P; Wagner M; Bliem R; Schulte K; Schmid M; Franchini C; Diebold U, Stabilizing Single Ni Adatoms on a Two-Dimensional Porous Titania Over layer at the SrTiO3(110) Surface, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2014, 118, pp. 19904 - 19909 [Scientific article]
He JG; Hummer K; Franchini C, Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenides MoS2, MoSe2, WS2, and WSe2, «PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS», 2014, 89, pp. 1 - 11 [Scientific article]
Hao, X. F.; Stroppa, A.; Barone, P.; FILIPPETTI, ALESSIO; FRANCHINI, CESARE; Picozzi, S., Structural and ferroelectric transitions in magnetic nickelate PbNiO 3, «NEW JOURNAL OF PHYSICS», 2014, 16, Article number: 015030 , pp. 1 - 21 [Scientific article]Open Access
