Cesare Franchini

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Georg KresseUniversity of Vienna, Faculty of Physics, Professor for Computational Quantum MechanicsVerified email at univie.ac.at
Ulrike DieboldTU Wien / Vienna University of TechnologyVerified email at iap.tuwien.ac.at
Xing-Qiu ChenShenyang National Laboratory for Materials Sciences, Institute of Metal Research, Chinese Academy ofVerified email at imr.ac.cn
Martin SetvinCharles UniversityVerified email at mff.cuni.cz
Michele ReticcioliUniversity of Vienna - Universität WienVerified email at univie.ac.at
Bongjae KimKunsan National UniversityVerified email at kunsan.ac.kr
Peitao LiuUniversity of ViennaVerified email at univie.ac.at
Gareth S. ParkinsonProfessor of Surface Reativity, TU WienVerified email at iap.tuwien.ac.at
Matthias MeierVienna UniversityVerified email at univie.ac.at
Zdeněk JakubCEITEC, Brno University of TechnologyVerified email at ceitec.vutbr.cz
Sergii KhmelevskyiCenter for Computational Materials Science, Vienna University of TechnologyVerified email at cms.tuwien.ac.at
Alessandra ContinenzaUniversità degli studi dell'AquilaVerified email at aquila.infn.it
Gianni ProfetaUniversity of L'AquilaVerified email at aquila.infn.it
Martijn MarsmanUniversity Vienna, Faculty of Physics and Center for Computational Materials ScienceVerified email at univie.ac.at
Antonio SannaMax Plank Institute of microstructure physicsVerified email at mpi-halle.mpg.de
Jan HulvaVienna University of TechnologyVerified email at iap.tuwien.ac.at
Francesco AllegrettiTechnische Universität MünchenVerified email at tum.de
Dipankar Das Sarma (D D Sarma)Indian Institute of ScienceVerified email at iisc.ac.in
Chris G. Van de WalleProfessor of Materials, University of California, Santa BarbaraVerified email at mrl.ucsb.edu
Anderson JanottiUniversity of DelawareVerified email at udel.edu

Cesare Franchini

University of Vienna & University of Bologna

Verified email at univie.ac.at - Homepage

Computational Quantum Materials


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Dirac semimetal and topological phase transitions in A 3 Bi (A= Na, K, Rb) Z Wang, Y Sun, XQ Chen, C Franchini, G Xu, H Weng, X Dai, Z Fang Physical Review B 85 (19), 195320, 2012	1865	2012
Stacking effects on the electronic and optical properties of bilayer transition metal dichalcogenides MoS 2, MoSe 2, WS 2, and WSe 2 J He, K Hummer, C Franchini Physical Review B 89 (7), 075409, 2014	476	2014
Role of self-trapping in luminescence and -type conductivity of wide-band-gap oxides JB Varley, A Janotti, C Franchini, CG Van de Walle Physical Review B 85 (8), 081109, 2012	472	2012
Direct view at excess electrons in TiO 2 rutile and anatase M Setvin, C Franchini, X Hao, M Schmid, A Janotti, M Kaltak, ... Physical review letters 113 (8), 086402, 2014	393	2014
Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations C Franchini, R Podloucky, J Paier, M Marsman, G Kresse Physical Review B 75 (19), 195128, 2007	338	2007
Tunable ferroelectric polarization and its interplay with spin–orbit coupling in tin iodide perovskites A Stroppa, D Di Sante, P Barone, M Bokdam, G Kresse, C Franchini, ... Nature communications 5 (1), 5900, 2014	262	2014
Role of polar phonons in the photo excited state of metal halide perovskites M Bokdam, T Sander, A Stroppa, S Picozzi, DD Sarma, C Franchini, ... Scientific reports 6 (1), 1-8, 2016	235	2016
Superconducting properties of MgB2 from first principles A Floris, A Sanna, M Lüders, G Profeta, NN Lathiotakis, MAL Marques, ... Physica C: Superconductivity 456 (1-2), 45-53, 2007	213	2007
Density functional theory study of MnO by a hybrid functional approach C Franchini, V Bayer, R Podloucky, J Paier, G Kresse Physical Review B 72 (4), 045132, 2005	201	2005
Superconductivity in lithium, potassium, and aluminum under extreme pressure: A first-principles study G Profeta, C Franchini, NN Lathiotakis, A Floris, A Sanna, MAL Marques, ... Physical review letters 96 (4), 047003, 2006	180	2006
Screened hybrid functional applied to 3 d 0→ 3 d 8 transition-metal perovskites La M O 3 (M= Sc–Cu): Influence of the exchange mixing parameter on the structural, electronic … J He, C Franchini Physical Review B 86 (23), 235117, 2012	167	2012
Dual behavior of excess electrons in rutile TiO₂ A Janotti, C Franchini, JB Varley, G Kresse, CG Van de Walle physica status solidi (RRL)–Rapid Research Letters 7 (3), 199-203, 2013	163	2013
Polarons in materials C Franchini, M Reticcioli, M Setvin, U Diebold Nature Reviews Materials 6 (7), 560-586, 2021	153	2021
Hardness of T-carbon: Density functional theory calculations XQ Chen, H Niu, C Franchini, D Li, Y Li Physical Review B 84 (12), 121405, 2011	153	2011
Maximally localized Wannier functions in LaMnO3 within PBE+ U, hybrid functionals and partially self-consistent GW: an efficient route to construct ab initio tight-binding … C Franchini, R Kováčik, M Marsman, SS Murthy, J He, C Ederer, G Kresse Journal of Physics: Condensed Matter 24 (23), 235602, 2012	140	2012
Hybrid functionals applied to perovskites C Franchini Journal of Physics: Condensed Matter 26 (25), 253202, 2014	124	2014
Unraveling CO adsorption on model single-atom catalysts J Hulva, M Meier, R Bliem, Z Jakub, F Kraushofer, M Schmid, U Diebold, ... Science 371 (6527), 375-379, 2021	117	2021
Charge trapping at the step edges of TiO2 anatase (101) M Setvin, X Hao, B Daniel, J Pavelec, Z Novotny, GS Parkinson, ... Angewandte Chemie International Edition 53 (18), 4714-4716, 2014	112	2014
Rocksalt SnS and SnSe: Native topological crystalline insulators Y Sun, Z Zhong, T Shirakawa, C Franchini, D Li, Y Li, S Yunoki, XQ Chen Physical Review B 88 (23), 235122, 2013	108	2013
Anisotropic two-dimensional electron gas at SrTiO3 (110) Z Wang, Z Zhong, X Hao, S Gerhold, B Stöger, M Schmid, ... Proceedings of the National Academy of Sciences 111 (11), 3933-3937, 2014	104	2014

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