@article{Filip2018b,

title = {Phase diagrams and stability of lead-free halide double perovskites Cs2BB′X6: B = Sb and Bi, B′ = Cu, Ag, and Au, and X = Cl, Br, and I},

author = {Marina R Filip and Xinlei Liu and Anna Miglio and Geoffroy Hautier and Feliciano Giustino},

doi = {10.1021/acs.jpcc.7b10370},

year  = {2018},

date = {2018-01-01},

journal = {The Journal of Physical Chemistry C},

volume = {122},

number = {1},

pages = {158-170},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Giannozzi2017,

title = {Advanced capabilities for materials modelling with Quantum ESPRESSO},

author = {P Giannozzi and O Andreussi and T Brumme and O Bunau and Buongiorno M Nardelli and M Calandra and R Car and C Cavazzoni and D Ceresoli and M Cococcioni and N Colonna and I Carnimeo and Dal A Corso and S de Gironcoli and P Delugas and R A DiStasio and A Ferretti and A Floris and G Fratesi and G Fugallo and R Gebauer and U Gerstmann and F Giustino and T Gorni and J Jia and M Kawamura and H-Y Ko and A Kokalj and E Kü ç and M Lazzeri and M Marsili and N Marzari and F Mauri and N L Nguyen and H-V Nguyen and A Otero-de-la-Roza and L Paulatto and Ponc S é and D Rocca and R Sabatini and B Santra and M Schlipf and A P Seitsonen and A Smogunov and I Timrov and T Thonhauser and P Umari and N Vast and X Wu and S Baroni},

doi = {10.1088/1361-648x/aa8f79},

year  = {2017},

date = {2017-10-01},

journal = {Journal of Physics: Condensed Matter},

volume = {29},

number = {46},

pages = {465901},

publisher = {IOP Publishing},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Heil2017,

title = {Origin of superconductivity and latent charge density wave in NbS2},

author = {Christoph Heil and Samuel Poncé and Henry Lambert and Martin Schlipf and Elena R Margine and Feliciano Giustino},

doi = {10.1103/PhysRevLett.119.087003},

year  = {2017},

date = {2017-08-01},

journal = {Physical Review Letters},

volume = {119},

pages = {087003},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Caruso2017,

title = {Nonadiabatic Kohn anomaly in heavily boron-doped diamond},

author = {Fabio Caruso and Moritz Hoesch and Philipp Achatz and Jorge Serrano and Michael Krisch and Etienne Bustarret and Feliciano Giustino},

doi = {10.1103/PhysRevLett.119.017001},

year  = {2017},

date = {2017-07-01},

journal = {Physical Review Letters},

volume = {119},

pages = {017001},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Giustino2017,

title = {Electron-phonon interactions from first principles},

author = {Feliciano Giustino},

doi = {10.1103/RevModPhys.89.015003},

year  = {2017},

date = {2017-02-01},

journal = {Review of Modern Physics},

volume = {89},

pages = {015003},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Perez2017,

title = {Van der Waals onteractions and anharmonicity in the lattice vibrations, dielectric constants, effective charges, and infrared spectra of the organic-inorganic halide perovskite CH3NH3PbI3},

author = {Miguel A Pérez-Osorio and Aurélie Champagne and Marios Zacharias and Gian-Marco Rignanese and Feliciano Giustino},

doi = {10.1021/acs.jpcc.7b07121},

year  = {2017},

date = {2017-01-01},

journal = {The Journal of Physical Chemistry C},

volume = {121},

number = {34},

pages = {18459-18471},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Volonakis2017,

title = {Route to stable kead-free double perovskites with the electronic structure of CH3NH3PbI3: A case for mixed-cation [Cs/CH3NH3/CH(NH2)2]2InBiBr6},

author = {George Volonakis and Amir Abbas Haghighirad and Henry J Snaith and Feliciano Giustino},

doi = {10.1021/acs.jpclett.7b01584},

year  = {2017},

date = {2017-01-01},

journal = {The Journal of Physical Chemistry Letters},

volume = {8},

number = {16},

pages = {3917-3924},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Verdi2017,

title = {Origin of the crossover from polarons to Fermi liquids in transition metal oxides},

author = {Carla Verdi and Fabio Caruso and Feliciano Giustino},

doi = {10.1038/ncomms15769},

year  = {2017},

date = {2017-01-01},

journal = {Nature Communications},

volume = {8},

pages = {15769},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sakai2017,

title = {Solution-processed cesium hexabromopalladate(IV), Cs2PdBr6, for optoelectronic applications},

author = {Nobuya Sakai and Amir Abbas Haghighirad and Marina R Filip and Pabitra K Nayak and Simantini Nayak and Alexandra Ramadan and Zhiping Wang and Feliciano Giustino and Henry J Snaith},

doi = {10.1021/jacs.6b13258},

year  = {2017},

date = {2017-01-01},

journal = {Journal of the American Chemical Society},

volume = {139},

number = {17},

pages = {6030-6033},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Volonakis2017b,

title = {Cs2InAgCl6: A new lead-free halide double perovskite with direct band gap},

author = {George Volonakis and Amir Abbas Haghighirad and Rebecca L Milot and Weng H Sio and Marina R Filip and Bernard Wenger and Michael B Johnston and Laura M Herz and Henry J Snaith and Feliciano Giustino},

doi = {10.1021/acs.jpclett.6b02682},

year  = {2017},

date = {2017-01-01},

journal = {The Journal of Physical Chemistry Letters},

volume = {8},

number = {4},

pages = {772-778},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Dette2017,

title = {Single-molecule vibrational spectroscopy of H2O on anatase TiO2(101)},

author = {Christian Dette and Miguel A Pérez-Osorio and Shai Mangel and Feliciano Giustino and Soon Jung Jung and Klaus Kern},

doi = {10.1021/acs.jpcc.6b10379},

year  = {2017},

date = {2017-01-01},

journal = {The Journal of Physical Chemistry C},

volume = {121},

number = {2},

pages = {1182-1187},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Caruso2916,

title = {Theory of electron-plasmon coupling in semiconductors},

author = {Fabio Caruso and Feliciano Giustino},

doi = {10.1103/PhysRevB.94.115208},

year  = {2016},

date = {2016-09-01},

journal = {Physical Review B},

volume = {94},

pages = {115208},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Zacharias2016,

title = {One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization},

author = {Marios Zacharias and Feliciano Giustino},

doi = {10.1103/PhysRevB.94.075125},

year  = {2016},

date = {2016-08-01},

journal = {Physical Review B},

volume = {94},

pages = {075125},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Gumhalter2016,

title = {On the combined use of GW approximation and cumulant expansion in the calculations of quasiparticle spectra: The paradigm of Si valence bands},

author = {Branko Gumhalter and Vjekoslav Kovaifmmode check{c}else čfi{} and Fabio Caruso and Henry Lambert and Feliciano Giustino},

doi = {10.1103/PhysRevB.94.035103},

year  = {2016},

date = {2016-07-01},

journal = {Physical Review B},

volume = {94},

pages = {035103},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Giustino2016,

title = {Toward lead-free perovskite solar cells},

author = {Feliciano Giustino and Henry J Snaith},

doi = {10.1021/acsenergylett.6b00499},

year  = {2016},

date = {2016-01-01},

journal = {ACS Energy Letters},

volume = {1},

number = {6},

pages = {1233-1240},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Eperon2016,

title = {Perovskite-perovskite tandem photovoltaics with optimized band gaps},

author = {Giles E Eperon and Tomas Leijtens and Kevin A Bush and Rohit Prasanna and Thomas Green and Jacob Tse-Wei Wang and David P McMeekin and George Volonakis and Rebecca L Milot and Richard May and Axel Palmstrom and Daniel J Slotcavage and Rebecca A Belisle and Jay B Patel and Elizabeth S Parrott and Rebecca J Sutton and Wen Ma and Farhad Moghadam and Bert Conings and Aslihan Babayigit and Hans-Gerd Boyen and Stacey Bent and Feliciano Giustino and Laura M Herz and Michael B Johnston and Michael D McGehee and Henry J Snaith},

doi = {10.1126/science.aaf9717},

issn = {0036-8075},

year  = {2016},

date = {2016-01-01},

journal = {Science},

volume = {354},

number = {6314},

pages = {861--865},

publisher = {American Association for the Advancement of Science},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Caruso2016b,

title = {The GW plus cumulant method and plasmonic polarons: Application to the homogeneous electron gas},

author = {Fabio Caruso and Feliciano Giustino},

doi = {10.1140/epjb/e2016-70028-4},

year  = {2016},

date = {2016-01-01},

journal = {The European Physical Journal B},

volume = {89},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ponce2016,

title = {EPW: Electron-phonon coupling, transport and superconducting properties using maximally localized Wannier functions},

author = {S Poncé and E R Margine and C Verdi and F Giustino},

doi = {https://doi.org/10.1016/j.cpc.2016.07.028},

issn = {0010-4655},

year  = {2016},

date = {2016-01-01},

journal = {Computer Physics Communications},

volume = {209},

pages = {116 - 133},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Filip2016,

title = {Band gaps of the lead-free halide double perovskites Cs2BiAgCl6 and Cs2BiAgBr6 from theory and experiment},

author = {Marina R Filip and Samuel Hillman and Amir Abbas Haghighirad and Henry J Snaith and Feliciano Giustino},

doi = {10.1021/acs.jpclett.6b01041},

year  = {2016},

date = {2016-01-01},

journal = {The Journal of Physical Chemistry Letters},

volume = {7},

number = {13},

pages = {2579-2585},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kamminga2016,

title = {Confinement effects in low-dimensional lead iodide perovskite hybrids},

author = {Machteld E Kamminga and Hong-Hua Fang and Marina R Filip and Feliciano Giustino and Jacob Baas and Graeme R Blake and Maria Antonietta Loi and Thomas T M Palstra},

doi = {10.1021/acs.chemmater.6b00809},

year  = {2016},

date = {2016-01-01},

journal = {Chemistry of Materials},

volume = {28},

number = {13},

pages = {4554-4562},

keywords = {},

pubstate = {published},

tppubtype = {article}

}