@article{Giustino_2020,

title = {The 2021 quantum materials roadmap},

author = {Feliciano Giustino and Jin Hong Lee and Felix Trier and Manuel Bibes and Stephen M Winter and Roser Valent í and Young-Woo Son and Louis Taillefer and Christoph Heil and Adriana I Figueroa and Bernard Pla ç and QuanSheng Wu and Oleg V Yazyev and Erik P A M Bakkers and Jesper Nygård and Pol Forn-D í and Silvano De Franceschi and J W McIver and Foa L E F Torres and Tony Low and Anshuman Kumar and Regina Galceran and Sergio O Valenzuela and Marius V Costache and Aur é and Eun-Ah Kim and Gabriel R Schleder and Adalberto Fazzio and Stephan Roche},

url = {https://doi.org/10.1088/2515-7639/abb74e},

doi = {10.1088/2515-7639/abb74e},

year  = {2020},

date = {2020-01-19},

journal = {Journal of Physics: Materials},

volume = {3},

number = {4},

pages = {042006},

publisher = {IOP Publishing},

abstract = {In recent years, the notion of ‘Quantum Materials’ has emerged as a powerful unifying concept across diverse fields of science and engineering, from condensed-matter and coldatom physics to materials science and quantum computing. Beyond traditional quantum materials such as unconventional superconductors, heavy fermions, and multiferroics, the field has significantly expanded to encompass topological quantum matter, two-dimensional materials and their van der Waals heterostructures, Moiré materials, Floquet time crystals, as well as materials and devices for quantum computation with Majorana fermions. In this Roadmap collection we aim to capture a snapshot of the most recent developments in the field, and to identify outstanding challenges and emerging opportunities. The format of the Roadmap, whereby experts in each discipline share their viewpoint and articulate their vision for quantum materials, reflects the dynamic and multifaceted nature of this research area, and is meant to encourage exchanges and discussions across traditional disciplinary boundaries. It is our hope that this collective vision will contribute to sparking new fascinating questions and activities at the intersection of materials science, condensed matter physics, device engineering, and quantum information, and to shaping a clearer landscape of quantum materials science as a new frontier of interdisciplinary scientific inquiry. We stress that this article is not meant to be a fully comprehensive review but rather an up-to-date snapshot of different areas of research on quantum materials with a minimal number of references focusing on the latest developments.},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Schlipf2020,

title = {SternheimerGW: A program for calculating GW quasiparticle band structures and spectral functions without unoccupied states},

author = {Martin Schlipf and Henry Lambert and Nourdine Zibouche and Feliciano Giustino},

doi = {10.1016/j.cpc.2019.07.019},

year  = {2020},

date = {2020-01-01},

journal = {Computer Physics Communications},

volume = {247},

pages = {106856},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Li2020,

title = {Many-body renormalization of the electron effective mass of InSe},

author = {Wenbin Li and Feliciano Giustino},

doi = {10.1103/PhysRevB.101.035201},

year  = {2020},

date = {2020-01-01},

journal = {Physical Review B},

volume = {101},

number = {3},

pages = {035201},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Muratov2019,

title = {Slot-die-printed two-dimensional ZrS_{3} charge transport layer for perovskite light-emitting diodes},

author = {Dmitry S Muratov and Artur R Ishteev and Dmitry A Lypenko and Vladislav O Vanyushin and Pavel Gostishev and Svetlana Perova and Danila S Saranin and Daniele Rossi and Matthias Auf der Maur and George Volonakis and Feliciano Giustino and Per. O Å Persson and Denis V Kuznetsov and Alexander Sinitskii and Di Carlo, Aldo},

doi = {10.1021/acsami.9b16457},

year  = {2019},

date = {2019-12-03},

journal = {ACS Applied Materials & Interfaces},

volume = {11},

number = {51},

pages = {48021-48028},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ponce2019b,

title = {Route to high hole mobility in GaN via reversal of crystal-field splitting},

author = {Samuel Poncé and Debdeep Jena and Feliciano Giustino},

doi = {10.1103/PhysRevLett.123.096602},

year  = {2019},

date = {2019-08-01},

journal = {Physical Review Letters},

volume = {123},

pages = {096602},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ponce2019c,

title = {Hole mobility of strained GaN from first principles},

author = {Samuel Poncé and Debdeep Jena and Feliciano Giustino},

doi = {10.1103/PhysRevB.100.085204},

year  = {2019},

date = {2019-08-01},

journal = {Physical Review B},

volume = {100},

pages = {085204},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sio2019a,

title = {Polarons from first principles, without supercells},

author = {Weng Hong Sio and Carla Verdi and Samuel Poncé and Feliciano Giustino},

doi = {10.1103/PhysRevLett.122.246403},

year  = {2019},

date = {2019-06-01},

journal = {Physical Review Letters},

volume = {122},

pages = {246403},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sio2019b,

title = {Ab initio theory of polarons: Formalism and applications},

author = {Weng Hong Sio and Carla Verdi and Samuel Poncé and Feliciano Giustino},

doi = {10.1103/PhysRevB.99.235139},

year  = {2019},

date = {2019-06-01},

journal = {Physical Review B},

volume = {99},

pages = {235139},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Dette2019b,

title = {Trellises of molecular oxygen 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.9b04314},

year  = {2019},

date = {2019-01-01},

journal = {The Journal of Physical Chemistry C},

volume = {123},

number = {43},

pages = {26170-26177},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Lian2019,

title = {Coexistence of superconductivity with enhanced charge density wave order in the two-dimensional limit of TaSe2},

author = {Chao-Sheng Lian and Christoph Heil and Xiaoyu Liu and Chen Si and Feliciano Giustino and Wenhui Duan},

doi = {10.1021/acs.jpclett.9b01480},

year  = {2019},

date = {2019-01-01},

journal = {The Journal of Physical Chemistry Letters},

volume = {10},

number = {14},

pages = {4076-4081},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{doi:10.1021/acs.jpclett.9b00193,

title = {Oxide analogs of halide perovskites and the new semiconductor Ba2AgIO6},

author = {George Volonakis and Nobuya Sakai and Henry J Snaith and Feliciano Giustino},

doi = {10.1021/acs.jpclett.9b00193},

year  = {2019},

date = {2019-01-01},

journal = {The Journal of Physical Chemistry Letters},

volume = {10},

number = {8},

pages = {1722-1728},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Trainer2019,

title = {Manipulating surface magnetic order in iron telluride},

author = {Christopher Trainer and Chi M Yim and Christoph Heil and Feliciano Giustino and Dorina Croitori and Vladimir Tsurkan and Alois Loidl and Efrain E Rodriguez and Chris Stock and Peter Wahl},

doi = {10.1126/sciadv.aav3478},

year  = {2019},

date = {2019-01-01},

journal = {Science Advances},

volume = {5},

number = {3},

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

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Li2019,

title = {Dimensional crossover in the carrier mobility of two-dimensional semiconductors: The case of InSe},

author = {Wenbin Li and Samuel Poncé and Feliciano Giustino},

doi = {10.1021/acs.nanolett.8b04799},

year  = {2019},

date = {2019-01-01},

journal = {Nano Letters},

volume = {19},

number = {3},

pages = {1774-1781},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ponce2019a,

title = {Origin of low carrier mobilities in halide perovskites},

author = {Samuel Poncé and Martin Schlipf and Feliciano Giustino},

doi = {10.1021/acsenergylett.8b02346},

year  = {2019},

date = {2019-01-01},

journal = {ACS Energy Letters},

volume = {4},

number = {2},

pages = {456-463},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Schlipf2018,

title = {Carrier lifetimes and polaronic mass enhancement in the hybrid halide perovskite CH3NH3PbI3 from multiphonon Fröhlich coupling},

author = {Martin Schlipf and Samuel Poncé and Feliciano Giustino},

doi = {10.1103/PhysRevLett.121.086402},

year  = {2018},

date = {2018-08-01},

journal = {Physical Review Letters},

volume = {121},

pages = {086402},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Heil2018,

title = {Quasiparticle GW band structures and Fermi surfaces of bulk and monolayer NbS2},

author = {Christoph Heil and Martin Schlipf and Feliciano Giustino},

doi = {10.1103/PhysRevB.98.075120},

year  = {2018},

date = {2018-08-01},

journal = {Physical Review B},

volume = {98},

pages = {075120},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Caruso2018,

title = {Electron-plasmon and electron-phonon satellites in the angle-resolved photoelectron spectra of n-doped anatase TiO2},

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

doi = {10.1103/PhysRevB.97.165113},

year  = {2018},

date = {2018-04-01},

journal = {Physical Review B},

volume = {97},

pages = {165113},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ponce2018,

title = {Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors},

author = {Samuel Poncé and Elena R Margine and Feliciano Giustino},

doi = {10.1103/PhysRevB.97.121201},

year  = {2018},

date = {2018-03-01},

journal = {Physical Review B},

volume = {97},

pages = {121201},

publisher = {American Physical Society},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Maitra2018b,

title = {Oxygen redox chemistry without excess alkali-metal ions in Na2/3[Mg0.28Mn0.72]O2},

author = {Urmimala {Maitra} and Robert A {House} and James W {Somerville} and Nuria {Tapia-Ruiz} and Juan G {Lozano} and Niccoló {Guerrini} and Rong {Hao} and Kun {Luo} and Liyu {Jin} and Miguel A {Pérez-Osorio} and Felix {Massel} and David M {Pickup} and Silvia {Ramos} and Xingye {Lu} and Daniel E {McNally} and Alan V {Chadwick} and Feliciano {Giustino} and Thorsten {Schmitt} and Laurent C {Duda} and Matthew R {Roberts} and Peter G {Bruce}},

doi = {10.1038/nchem.2923},

year  = {2018},

date = {2018-03-01},

journal = {Nature Chemistry},

volume = {10},

number = {3},

pages = {288-295},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Perez018,

title = {Raman spectrum of the organic-inorganic halide perovskite CH3NH3PbI3 from first principles and high-resolution low-temperature raman measurements},

author = {Miguel A Pérez-Osorio and Qianqian Lin and Richard T Phillips and Rebecca L Milot and Laura M Herz and Michael B Johnston and Feliciano Giustino},

doi = {10.1021/acs.jpcc.8b04669},

year  = {2018},

date = {2018-01-01},

journal = {The Journal of Physical Chemistry C},

volume = {122},

number = {38},

pages = {21703-21717},

keywords = {},

pubstate = {published},

tppubtype = {article}

}