Publications: Extended systems: solids, surfaces, liquids. Applications (e.g photovoltaics)


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These papers are ordered by article relevance.

The spontaneous symmetry breaking in Ta2NiSe5 is structural in nature
Edoardo Baldini, Alfred Zong, Dongsung Choi, Changmin Lee, Marios H. Michael, Lukas Windgaetter, Igor I. Mazin, Simone Latini, Doron Azoury, Baiqing Lv, Anshul Kogar, Yao Wang, Yangfan Lu, Tomohiro Takayama, Hidenori Takagi, Andrew J. Millis, Angel Rubio, Eugene Demler, Nuh Gedik
Nature Materials (submitted), (2020)
Correlated electronic phases in twisted bilayer transition metal dichalcogenides
Lei Wang,En-Min Shih, Augusto Ghiotto,Lede Xian, Daniel A. Rhodes, Cheng Tan,Martin Claassen,Dante M. Kennes,Yusong Bai,Bumho Kim, Kenji Watanabe,Takashi Taniguchi, Xiaoyang Zhu, James Hone, Angel Rubio,Abhay N. Pasupathy, Cory R. Dean
Nature Materials 19, 861 - 866 (2020)
Covalent C–N Bond Formation Through a Surface Catalyzed Thermal Cyclodehydrogenation
Ilya Piskun,Raymond Blackwell,Joaquim Jornet-Somoza,Fangzhou Zhao, Angel Rubio,Steven G. Louie, Felix R. Fischer
Journal Of The American Chemical Society 142,8, 3696 - 3700 (2020)
Parameter-free hybrid functional based on an extended Hubbard model: DFT+U+V
Nicolas Tancogne-Dejean, Angel Rubio
Physical Review B 102, 155117 (2020)
Topological Phase Transitions Induced by Disorder in Magnetically Doped (Bi, Sb)2Te3 Thin Films
Takuya Okugawa, Peizhe Tang, Angel Rubio, Dante M. Kennes
(submitted), (2020)
The Mott metal-insulator transition from steady-state density functional theory
D. Jacob, G. Stefanucci, S. Kurth
Multiflat Bands and Strong Correlations in Twisted Bilayer Boron Nitride: Doping-Induced Correlated Insulator and Superconductor
Lede Xian,Dante M. Kennes,Nicolas Tancogne-Dejean,Massimo Altarelli, Angel Rubio
Nano Letters 19, 8 , 4934 - 4940 (2019)
Attosecond screening dynamics mediated by electron-localization in transition metals
M. Volkov, S. A. Sato, F. Schlaepfer, L. Kasmi, N. Hartmann, M. Lucchini, L. Gallmann, A. Rubio, U. Keller
Nature Physics 15, 1145 - 1149 (2019)
Quantum pressure focusing in solids: a reconstruction from experimental electron density
V. G. Tsirelson, A. I. Stash, I. V. Tokatly
Acta Crystallographica Section B-Structural Science 75, 201 - 209 (2019)
Boundary conditions for spin and charge diffusion in the presence of interfacial spin-orbit coupling
J. Borge, I. V. Tokatly
Physical Review B 99, 241401 (2019)
Local adsorption structure and bonding of porphine on Cu(111) before and after self-metalation
D. A. Duncan,P.Casado Aguilar,M.Paszkiewicz1,K. Diller,F. Bondino,E. Magnano,F.Klappenberger,I.Píš,A. Rubio,J. V. Barth,A. Pérez Paz, F. Allegretti
Journal of Chemical Physics 150, 094702 (2019)
Orbital magneto-optical response of periodic insulators from first principles
Irina V. Lebedeva, David A. Strubbe, Ilya V. Tokatly, Angel Rubio
Computational Materials 5, 32 (2019)
Robust organic radical molecular junctions using acetylene terminated groups for C-Au bond formation
Francesc Bejarano, Ignacio Olavarria-Contreras, Andrea Droghetti, Ivan Rungger, Alexander Rudnev, Diego Gutiérrez, Marta Mas-Torrent, Jaume Veciana, Herre van der Zant, Concepció Rovira, Enrique Burzurí, Núria Crivillers
Journal Of The American Chemical Society 140, 1691 (2018)
Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes
Sara G. Miralles, Amílcar Bedoya-Pinto, José J. Baldoví, Walter Cañón-Mancisidor, Yoann Prado, Helena Prima-Garcia, Alejandro Gaita-Ariño, Guillermo Minguez Espallargas, Luis E. Hueso, Eugenio Coronado
Chemical Science 9, 199 - 208 (2018)
Ultra-sensitive H2S gas sensors based on p-type WS2 hybrid materials
Georgies Alene Asres, José J. Baldoví, Aron Dombovari, Topias Järvinen, Gabriela Simone Lorite, Melinda Mohl, Andrey Shchukarev, Alejandro Pérez Paz, Lede Xian, Jyri-Pekka Mikkola, Anita Lloyd Spetz, Heli Jantunen, Ángel Rubio, Krisztian Kordas
Nano Research 11 (8 ), 4215 - 4224 (2018)