Publications

@article{Kesavan202016577,

title = {Doping evolution of the local electronic and structural properties of the double perovskite ba2na1-xcaxoso6},

author = {J. K. Kesavan and D. Fiore Mosca and S. Sanna and F. Borgatti and G. Schuck and P. M. Tran and P. M. Woodward and V. F. Mitrović and C. Franchini and F. Boscherini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85089874343&doi=10.1021%2facs.jpcc.0c04807&partnerID=40&md5=b42b71b6cd3ce25a83c40a9133c36781},

doi = {10.1021/acs.jpcc.0c04807},

year  = {2020},

date = {2020-01-01},

journal = {Journal of Physical Chemistry C},

volume = {124},

number = {30},

pages = {16577-16585},

note = {cited By 5},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Zagler2020,

title = {CuAu, a hexagonal two-dimensional metal},

author = {G. Zagler and M. Reticcioli and C. Mangler and D. Scheinecker and C. Franchini and J. Kotakoski},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85087296909&doi=10.1088%2f2053-1583%2fab9c39&partnerID=40&md5=84c5feb302a8b4edb8bb1005523ebf01},

doi = {10.1088/2053-1583/ab9c39},

year  = {2020},

date = {2020-01-01},

journal = {2D Materials},

volume = {7},

number = {4},

note = {cited By 10},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Springer2020,

title = {Osmates on the Verge of a Hund's-Mott Transition: The Different Fates of NaOsO3 and LiOsO3},

author = {D. Springer and B. Kim and P. Liu and S. Khmelevskyi and S. Adler and M. Capone and G. Sangiovanni and C. Franchini and A. Toschi},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85094983737&doi=10.1103%2fPhysRevLett.125.166402&partnerID=40&md5=6966b01530ab6a9ba16b9dca1d1fec33},

doi = {10.1103/PhysRevLett.125.166402},

year  = {2020},

date = {2020-01-01},

journal = {Physical Review Letters},

volume = {125},

number = {16},

note = {cited By 9},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Sereika2020,

title = {Aberrant electronic and structural alterations in pressure tuned perovskite NaOsO3},

author = {R. Sereika and P. Liu and B. Kim and S. Kim and J. Zhang and B. Chen and K. Yamaura and C. Park and C. Franchini and Y. Ding and H. -K. Mao},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85091046476&doi=10.1038%2fs41535-020-00269-3&partnerID=40&md5=44f0651b111af48bd31c1150f51fbb80},

doi = {10.1038/s41535-020-00269-3},

year  = {2020},

date = {2020-01-01},

journal = {npj Quantum Materials},

volume = {5},

number = {1},

note = {cited By 3},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Dobrovits2019,

title = {Doping-induced insulator-metal transition in the Lifshitz magnetic insulator NaOsO3},

author = {S. Dobrovits and B. Kim and M. Reticcioli and A. Toschi and S. Khmelevskyi and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85065217281&doi=10.1088%2f1361-648X%2fab0dc4&partnerID=40&md5=f32a80fd75a6e6e3235edcf03506b89e},

doi = {10.1088/1361-648X/ab0dc4},

year  = {2019},

date = {2019-01-01},

journal = {Journal of Physics Condensed Matter},

volume = {21},

number = {24},

note = {cited By 7},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Reticcioli2019,

title = {Interplay between Adsorbates and Polarons: CO on Rutile TiO2 (110)},

author = {M. Reticcioli and I. Sokolović and M. Schmid and U. Diebold and M. Setvin and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85059849662&doi=10.1103%2fPhysRevLett.122.016805&partnerID=40&md5=de92f9ab00a8a221f08ddb18515b2955},

doi = {10.1103/PhysRevLett.122.016805},

year  = {2019},

date = {2019-01-01},

journal = {Physical Review Letters},

volume = {122},

number = {1},

note = {cited By 65},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ma2019,

title = {Spin fluctuation induced Weyl semimetal state in the paramagnetic phase of EuCd2As2},

author = {J. -Z. Ma and S. M. Nie and C. J. Yi and J. Jandke and T. Shang and M. Y. Yao and M. Naamneh and L. Q. Yan and Y. Sun and A. Chikina and V. N. Strocov and M. Medarde and M. Song and Y. -M. Xiong and G. Xu and W. Wulfhekel and J. Mesot and M. Reticcioli and C. Franchini and C. Mudry and M. Müller and Y. G. Shi and T. Qian and H. Ding and M. Shi},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85069843430&doi=10.1126%2fsciadv.aaw4718&partnerID=40&md5=4c68d90e7fecfd1dd92cb9e95ab7aab7},

doi = {10.1126/sciadv.aaw4718},

year  = {2019},

date = {2019-01-01},

journal = {Science Advances},

volume = {5},

number = {7},

note = {cited By 98},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ulreich2019,

title = {Defect chemistry of Eu dopants in NaI scintillators studied by atomically resolved force microscopy},

author = {M. Ulreich and L. A. Boatner and I. Sokolović and M. Reticcioli and B. Stoeger and F. Poelzleitner and C. Franchini and M. Schmid and U. Diebold and M. Setvin},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85073645030&doi=10.1103%2fPhysRevMaterials.3.075004&partnerID=40&md5=a19224aeb20446da6a1b82f9f84b8566},

doi = {10.1103/PhysRevMaterials.3.075004},

year  = {2019},

date = {2019-01-01},

journal = {Physical Review Materials},

volume = {3},

number = {7},

note = {cited By 1},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Bourgund201919742,

title = {Influence of Local Defects on the Dynamics of O-H Bond Breaking and Formation on a Magnetite Surface},

author = {A. Bourgund and B. A. J. Lechner and M. Meier and C. Franchini and G. S. Parkinson and U. Heiz and F. Esch},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85070894031&doi=10.1021%2facs.jpcc.9b05547&partnerID=40&md5=143459abca948e2c6862cf24e9142cb4},

doi = {10.1021/acs.jpcc.9b05547},

year  = {2019},

date = {2019-01-01},

journal = {Journal of Physical Chemistry C},

volume = {123},

number = {32},

pages = {19742-19747},

note = {cited By 10},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Dudarev2019,

title = {Parametrization of LSDA+U for noncollinear magnetic configurations: Multipolar magnetism in UO2},

author = {S. L. Dudarev and P. Liu and D. A. Andersson and C. R. Stanek and T. Ozaki and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85072522858&doi=10.1103%2fPhysRevMaterials.3.083802&partnerID=40&md5=2462a4bb0bb549bdf31d98c6f6da229b},

doi = {10.1103/PhysRevMaterials.3.083802},

year  = {2019},

date = {2019-01-01},

journal = {Physical Review Materials},

volume = {3},

number = {8},

note = {cited By 26},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Klimin20192739,

title = {Superconductivity in SrTiO3: Dielectric Function Method for Non-Parabolic Bands},

author = {S. N. Klimin and J. Tempere and J. T. Devreese and J. He and C. Franchini and G. Kresse},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85060697734&doi=10.1007%2fs10948-019-5029-0&partnerID=40&md5=67472d0b4cf18623b888f6ddbdc35289},

doi = {10.1007/s10948-019-5029-0},

year  = {2019},

date = {2019-01-01},

journal = {Journal of Superconductivity and Novel Magnetism},

volume = {32},

number = {9},

pages = {2739-2744},

note = {cited By 11},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Khan2019,

title = {Intriguing electronic and optical properties of M2CX2 (M = Mo, W; X = O, F) MXenes and their van der Waals heterostructures},

author = {S. A. Khan and G. Rehman and I. Ahmad and M. Maqbool and C. Franchini and B. Amin},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85069932410&doi=10.1016%2fj.cplett.2019.136614&partnerID=40&md5=6d430198901b63e70c7fec7cc78608e5},

doi = {10.1016/j.cplett.2019.136614},

year  = {2019},

date = {2019-01-01},

journal = {Chemical Physics Letters},

volume = {731},

note = {cited By 11},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Jakub201913961,

title = {Local Structure and Coordination Define Adsorption in a Model Ir1/Fe3O4 Single-Atom Catalyst},

author = {Z. Jakub and J. Hulva and M. Meier and R. Bliem and F. Kraushofer and M. Setvin and M. Schmid and U. Diebold and C. Franchini and G. S. Parkinson},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85071241142&doi=10.1002%2fanie.201907536&partnerID=40&md5=b80e64e23258de844bc8e275cb4ab20e},

doi = {10.1002/anie.201907536},

year  = {2019},

date = {2019-01-01},

journal = {Angewandte Chemie - International Edition},

volume = {58},

number = {39},

pages = {13961-13968},

note = {cited By 80},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Jia2019,

title = {Cubic and tetragonal perovskites from the random phase approximation},

author = {F. Jia and G. Kresse and C. Franchini and P. Liu and J. Wang and A. Stroppa and W. Ren},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85073430970&doi=10.1103%2fPhysRevMaterials.3.103801&partnerID=40&md5=476a4578dab593aa74627ffae5692a69},

doi = {10.1103/PhysRevMaterials.3.103801},

year  = {2019},

date = {2019-01-01},

journal = {Physical Review Materials},

volume = {3},

number = {10},

note = {cited By 8},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Belviso201914939,

title = {Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications},

author = {F. Belviso and V. E. P. Claerbout and A. Comas-Vives and N. S. Dalal and F. -R. Fan and A. Filippetti and V. Fiorentini and L. Foppa and C. Franchini and B. Geisler and L. M. Ghiringhelli and A. Groß and S. Hu and J. Íñiguez and S. K. Kauwe and J. L. Musfeldt and P. Nicolini and R. Pentcheva and T. Polcar and W. Ren and F. Ricci and F. Ricci and H. S. Sen and J. M. Skelton and T. D. Sparks and A. Stroppa and A. Urru and M. Vandichel and P. Vavassori and H. Wu and K. Yang and H. J. Zhao and D. Puggioni and R. Cortese and A. Cammarata},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85074940021&doi=10.1021%2facs.inorgchem.9b01785&partnerID=40&md5=2640b16ae86205579c7eac081d9bd691},

doi = {10.1021/acs.inorgchem.9b01785},

year  = {2019},

date = {2019-01-01},

journal = {Inorganic Chemistry},

volume = {58},

number = {22},

pages = {14939-14980},

note = {cited By 20},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Hampel2019,

title = {Energetics of the coupled electronic–structural transition in the rare-earth nickelates},

author = {A. Hampel and P. Liu and C. Franchini and C. Ederer},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85061213265&doi=10.1038%2fs41535-019-0145-4&partnerID=40&md5=1423cf5a32e2867a9d42aef714537ac4},

doi = {10.1038/s41535-019-0145-4},

year  = {2019},

date = {2019-01-01},

journal = {npj Quantum Materials},

volume = {4},

number = {1},

note = {cited By 26},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ryan201816469,

title = {Direct measurement of Ni incorporation into Fe3O4(001)},

author = {P. T. P. Ryan and Z. Jakub and J. Balajka and J. Hulva and M. Meier and J. T. Küchle and P. J. Blowey and P. K. Thakur and C. Franchini and D. J. Payne and D. P. Woodruff and L. A. Rochford and F. Allegretti and T. -L. Lee and G. S. Parkinson and D. A. Duncan},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85049018972&doi=10.1039%2fc8cp02516a&partnerID=40&md5=f47c28a4ccd9968bddc2ba04587c9747},

doi = {10.1039/c8cp02516a},

year  = {2018},

date = {2018-01-01},

journal = {Physical Chemistry Chemical Physics},

volume = {20},

number = {24},

pages = {16469-16476},

note = {cited By 17},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Setvin2018572,

title = {Polarity compensation mechanisms on the perovskite surface KTaO3(001)},

author = {M. Setvin and M. Reticcioli and F. Poelzleitner and J. Hulva and M. Schmid and L. A. Boatner and C. Franchini and U. Diebold},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85041362994&doi=10.1126%2fscience.aar2287&partnerID=40&md5=57aa63d3acf76f513043bbdc88477ae7},

doi = {10.1126/science.aar2287},

year  = {2018},

date = {2018-01-01},

journal = {Science},

volume = {359},

number = {6375},

pages = {572-575},

note = {cited By 74},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Ergönenc2018,

title = {Converged GW quasiparticle energies for transition metal oxide perovskites},

author = {Z. Ergönenc and B. Kim and P. Liu and G. Kresse and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85049184767&doi=10.1103%2fPhysRevMaterials.2.024601&partnerID=40&md5=681b7d2489c1dfbb984c6b1fa4baf92a},

doi = {10.1103/PhysRevMaterials.2.024601},

year  = {2018},

date = {2018-01-01},

journal = {Physical Review Materials},

volume = {2},

number = {2},

note = {cited By 43},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Meier20182226,

title = {Probing the geometry of copper and silver adatoms on magnetite: Quantitative experiment: Versus theory},

author = {M. Meier and Z. Jakub and J. Balajka and J. Hulva and R. Bliem and P. K. Thakur and T. -L. Lee and C. Franchini and M. Schmid and U. Diebold and F. Allegretti and D. A. Duncan and G. S. Parkinson},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85041455988&doi=10.1039%2fc7nr07319d&partnerID=40&md5=5663e64233da4ccaddb6f321f46ff954},

doi = {10.1039/c7nr07319d},

year  = {2018},

date = {2018-01-01},

journal = {Nanoscale},

volume = {10},

number = {5},

pages = {2226-2230},

note = {cited By 20},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Hahn2018,

title = {Diagrammatic Monte Carlo study of Fröhlich polaron dispersion in two and three dimensions},

author = {T. Hahn and S. Klimin and J. Tempere and J. T. Devreese and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85045913759&doi=10.1103%2fPhysRevB.97.134305&partnerID=40&md5=d9b6ba23547c465e7d2b1f7b5b33d3b0},

doi = {10.1103/PhysRevB.97.134305},

year  = {2018},

date = {2018-01-01},

journal = {Physical Review B},

volume = {97},

number = {13},

note = {cited By 23},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Meier2018E5642,

title = {Water agglomerates on Fe3O4(001)},

author = {M. Meier and J. Hulva and Z. Jakub and J. Pavelec and M. Setvin and R. Bliem and M. Schmid and U. Diebold and C. Franchini and G. S. Parkinson},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85048795028&doi=10.1073%2fpnas.1801661115&partnerID=40&md5=9d3e4fae233c84739bfc4da11ec3340a},

doi = {10.1073/pnas.1801661115},

year  = {2018},

date = {2018-01-01},

journal = {Proceedings of the National Academy of Sciences of the United States of America},

volume = {115},

number = {25},

pages = {E5642-E5650},

note = {cited By 68},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Reticcioli2018,

title = {Formation and dynamics of small polarons on the rutile TiO2 (110) surface},

author = {M. Reticcioli and M. Setvin and M. Schmid and U. Diebold and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85050490853&doi=10.1103%2fPhysRevB.98.045306&partnerID=40&md5=921699f5f207cd150d8a06b5dec6030f},

doi = {10.1103/PhysRevB.98.045306},

year  = {2018},

date = {2018-01-01},

journal = {Physical Review B},

volume = {98},

number = {4},

note = {cited By 55},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Liu2018,

title = {Relativistic GW +BSE study of the optical properties of Ruddlesden-Popper iridates},

author = {P. Liu and B. Kim and X. -Q. Chen and D. D. Sarma and G. Kresse and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85051863015&doi=10.1103%2fPhysRevMaterials.2.075003&partnerID=40&md5=235881f732e052e4e3d6dc1791b73c7f},

doi = {10.1103/PhysRevMaterials.2.075003},

year  = {2018},

date = {2018-01-01},

journal = {Physical Review Materials},

volume = {2},

number = {7},

note = {cited By 38},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kim2018,

title = {Strain-induced tuning of the electronic Coulomb interaction in 3d transition metal oxide perovskites},

author = {B. Kim and P. Liu and J. M. Tomczak and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85051860020&doi=10.1103%2fPhysRevB.98.075130&partnerID=40&md5=b445b1b20243941f0023fb896f7ef2ad},

doi = {10.1103/PhysRevB.98.075130},

year  = {2018},

date = {2018-01-01},

journal = {Physical Review B},

volume = {98},

number = {7},

note = {cited By 17},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Smolyanyuk2018,

title = {Ab initio study of ABiO3 (A=Ba, Sr, Ca) under high pressure},

author = {A. Smolyanyuk and C. Franchini and L. Boeri},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85054193161&doi=10.1103%2fPhysRevB.98.115158&partnerID=40&md5=a6a26bf240074277a505797568aaf918},

doi = {10.1103/PhysRevB.98.115158},

year  = {2018},

date = {2018-01-01},

journal = {Physical Review B},

volume = {98},

number = {11},

note = {cited By 1},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{He2018,

title = {Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide},

author = {J. He and D. Di Sante and R. Li and X. -Q. Chen and J. M. Rondinelli and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85041694671&doi=10.1038%2fs41467-017-02814-4&partnerID=40&md5=a70fd8d94d42f1a75826fc9d76a27193},

doi = {10.1038/s41467-017-02814-4},

year  = {2018},

date = {2018-01-01},

journal = {Nature Communications},

volume = {9},

number = {1},

note = {cited By 28},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Riva2018,

title = {Influence of surface atomic structure demonstrated on oxygen incorporation mechanism at a model perovskite oxide},

author = {M. Riva and M. Kubicek and X. Hao and G. Franceschi and S. Gerhold and M. Schmid and H. Hutter and J. Fleig and C. Franchini and B. Yildiz and U. Diebold},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85053310413&doi=10.1038%2fs41467-018-05685-5&partnerID=40&md5=5be57f09aee8fb41557635e7e8229262},

doi = {10.1038/s41467-018-05685-5},

year  = {2018},

date = {2018-01-01},

journal = {Nature Communications},

volume = {9},

number = {1},

note = {cited By 49},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Reticcioli2017b,

title = {Polaron-driven surface reconstructions},

author = {M. Reticcioli and M. Setvin and X. Hao and P. Flauger and G. Kresse and M. Schmid and U. Diebold and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85030676675&doi=10.1103%2fPhysRevX.7.031053&partnerID=40&md5=6037cf2b8a6df35ae9b3fda64d8c43b5},

doi = {10.1103/PhysRevX.7.031053},

year  = {2017},

date = {2017-01-01},

journal = {Physical Review X},

volume = {7},

number = {3},

note = {cited By 51},

keywords = {},

pubstate = {published},

tppubtype = {article}

}

@article{Kim2017d,

title = {Magnetic properties of bilayer Sr3 Ir2 O7: Role of epitaxial strain and oxygen vacancies},

author = {B. Kim and P. Liu and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85010427089&doi=10.1103%2fPhysRevB.95.024406&partnerID=40&md5=253c339049d10dcc8138e489549d3e5b},

doi = {10.1103/PhysRevB.95.024406},

year  = {2017},

date = {2017-01-01},

journal = {Physical Review B},

volume = {95},

number = {2},

note = {cited By 15},

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pubstate = {published},

tppubtype = {article}

}

@article{Kim2017c,

title = {Dimensionality-strain phase diagram of strontium iridates},

author = {B. Kim and P. Liu and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85014861473&doi=10.1103%2fPhysRevB.95.115111&partnerID=40&md5=00cc5cd200a09290675e58e3715ebe1d},

doi = {10.1103/PhysRevB.95.115111},

year  = {2017},

date = {2017-01-01},

journal = {Physical Review B},

volume = {95},

number = {11},

note = {cited By 36},

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pubstate = {published},

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@article{He20172445,

title = {Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering},

author = {J. He and C. Franchini and J. M. Rondinelli},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85016446231&doi=10.1021%2facs.chemmater.6b03486&partnerID=40&md5=bedc0050dd96d14e6de2ed2b686475eb},

doi = {10.1021/acs.chemmater.6b03486},

year  = {2017},

date = {2017-01-01},

journal = {Chemistry of Materials},

volume = {29},

number = {6},

pages = {2445-2451},

note = {cited By 28},

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}

@article{Reticcioli2017,

title = {Ru doping in iron-based pnictides: The ünfolded" dominant role of structural effects for superconductivity},

author = {M. Reticcioli and G. Profeta and C. Franchini and A. Continenza},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85023207296&doi=10.1103%2fPhysRevB.95.214510&partnerID=40&md5=e43c83fb3bd0a54df28bc9275d088028},

doi = {10.1103/PhysRevB.95.214510},

year  = {2017},

date = {2017-01-01},

journal = {Physical Review B},

volume = {95},

number = {21},

note = {cited By 10},

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@article{Smolyanyuk2017,

title = {Ab initio prediction of the high-pressure phase diagram of BaBiO3},

author = {A. Smolyanyuk and L. Boeri and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85026440655&doi=10.1103%2fPhysRevB.96.035103&partnerID=40&md5=9ef506575b3f92b7b448897002408466},

doi = {10.1103/PhysRevB.96.035103},

year  = {2017},

date = {2017-01-01},

journal = {Physical Review B},

volume = {96},

number = {3},

note = {cited By 9},

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@article{DiSante2017,

title = {Three-Dimensional Electronic Structure of the Type-II Weyl Semimetal WTe2},

author = {D. Di Sante and P. K. Das and C. Bigi and Z. Ergönenc and N. Gürtler and J. A. Krieger and T. Schmitt and M. N. Ali and G. Rossi and R. Thomale and C. Franchini and S. Picozzi and J. Fujii and V. N. Strocov and G. Sangiovanni and I. Vobornik and R. J. Cava and G. Panaccione},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85025476830&doi=10.1103%2fPhysRevLett.119.026403&partnerID=40&md5=c1f57f479ebe49514c459fd0fdbb55db},

doi = {10.1103/PhysRevLett.119.026403},

year  = {2017},

date = {2017-01-01},

journal = {Physical Review Letters},

volume = {119},

number = {2},

note = {cited By 58},

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@article{Govinda20174113,

title = {Behavior of Methylammonium Dipoles in MAPbX3 (X = Br and I)},

author = {S. Govinda and B. P. Kore and M. Bokdam and P. Mahale and A. Kumar and S. Pal and B. Bhattacharyya and J. Lahnsteiner and G. Kresse and C. Franchini and A. Pandey and D. D. Sarma},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85029029650&doi=10.1021%2facs.jpclett.7b01740&partnerID=40&md5=bf6569e9fcb245b5ba84fa92b49fce7e},

doi = {10.1021/acs.jpclett.7b01740},

year  = {2017},

date = {2017-01-01},

journal = {Journal of Physical Chemistry Letters},

volume = {8},

number = {17},

pages = {4113-4121},

note = {cited By 92},

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@article{Hu201723045,

title = {Dipole Order in Halide Perovskites: Polarization and Rashba Band Splittings},

author = {S. Hu and H. Gao and Y. Qi and Y. Tao and Y. Li and J. R. Reimers and M. Bokdam and C. Franchini and D. Di Sante and A. Stroppa and W. Ren},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85032855660&doi=10.1021%2facs.jpcc.7b05929&partnerID=40&md5=83334a2c955d0ae2cdc120576d13f328},

doi = {10.1021/acs.jpcc.7b05929},

year  = {2017},

date = {2017-01-01},

journal = {Journal of Physical Chemistry C},

volume = {121},

number = {41},

pages = {23045-23054},

note = {cited By 49},

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@article{He2017,

title = {Assessing the performance of self-consistent hybrid functional for band gap calculation in oxide semiconductors},

author = {J. He and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85037726555&doi=10.1088%2f1361-648X%2faa867e&partnerID=40&md5=3c7a253775e7db01cee98db58cc4789f},

doi = {10.1088/1361-648X/aa867e},

year  = {2017},

date = {2017-01-01},

journal = {Journal of Physics Condensed Matter},

volume = {29},

number = {45},

note = {cited By 34},

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@article{Kim2017b,

title = {Competing magnetic interactions in a spin- 12 square lattice: Hidden order in Sr2VO4},

author = {B. Kim and S. Khmelevskyi and P. Mohn and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85038864877&doi=10.1103%2fPhysRevB.96.180405&partnerID=40&md5=580b3c2e8c5be2775a17f07697487c89},

doi = {10.1103/PhysRevB.96.180405},

year  = {2017},

date = {2017-01-01},

journal = {Physical Review B},

volume = {96},

number = {18},

note = {cited By 6},

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pubstate = {published},

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@article{Kim2017,

title = {Anisotropy of magnetic interactions and symmetry of the order parameter in unconventional superconductor Sr2RuO4},

author = {B. Kim and S. Khmelevskyi and I. I. Mazin and D. F. Agterberg and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85038817702&doi=10.1038%2fs41535-017-0041-8&partnerID=40&md5=1236d6b161f58525307cfd24b1cfeaf1},

doi = {10.1038/s41535-017-0041-8},

year  = {2017},

date = {2017-01-01},

journal = {npj Quantum Materials},

volume = {2},

number = {1},

note = {cited By 21},

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@article{He201625,

title = {Lithium Niobate-Type Oxides as Visible Light Photovoltaic Materials},

author = {J. He and C. Franchini and J. M. Rondinelli},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84954424052&doi=10.1021%2facs.chemmater.5b03356&partnerID=40&md5=7390cccb83872c06909645cb8ae66445},

doi = {10.1021/acs.chemmater.5b03356},

year  = {2016},

date = {2016-01-01},

journal = {Chemistry of Materials},

volume = {28},

number = {1},

pages = {25-29},

note = {cited By 22},

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pubstate = {published},

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@article{Kováčik2016,

title = {Combined first-principles and model Hamiltonian study of the perovskite series RMnO3 (R=La,Pr,Nd,Sm,Eu, and Gd)},

author = {R. Kováčik and S. S. Murthy and C. E. Quiroga and C. Ederer and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84960154494&doi=10.1103%2fPhysRevB.93.075139&partnerID=40&md5=39a1d010f617bd71f5a49fbc10385ffc},

doi = {10.1103/PhysRevB.93.075139},

year  = {2016},

date = {2016-01-01},

journal = {Physical Review B},

volume = {93},

number = {7},

note = {cited By 21},

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@article{Moses2016,

title = {Donor defects and small polarons on the TiO2(110) surface},

author = {P. G. Moses and A. Janotti and C. Franchini and G. Kresse and C. G. Van De Walle},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84969560219&doi=10.1063%2f1.4948239&partnerID=40&md5=e43f5349ee164f6760607dbc86788d53},

doi = {10.1063/1.4948239},

year  = {2016},

date = {2016-01-01},

journal = {Journal of Applied Physics},

volume = {119},

number = {18},

note = {cited By 47},

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@article{An2016,

title = {Large enhancement of the photovoltaic effect in ferroelectric complex oxides through bandgap reduction},

author = {H. An and J. Y. Han and B. Kim and J. Song and S. Y. Jeong and C. Franchini and C. W. Bark and S. Lee},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84975460891&doi=10.1038%2fsrep28313&partnerID=40&md5=6fee5562493ba4366cb6c810999df14d},

doi = {10.1038/srep28313},

year  = {2016},

date = {2016-01-01},

journal = {Scientific Reports},

volume = {6},

note = {cited By 35},

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@article{Bokdam2016,

title = {Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites},

author = {M. Bokdam and T. Sander and A. Stroppa and S. Picozzi and D. D. Sarma and C. Franchini and G. Kresse},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84976527679&doi=10.1038%2fsrep28618&partnerID=40&md5=432f1153b7b5d97fa5862680b4a24509},

doi = {10.1038/srep28618},

year  = {2016},

date = {2016-01-01},

journal = {Scientific Reports},

volume = {6},

note = {cited By 200},

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@article{Liu2016,

title = {Electron and hole doping in the relativistic Mott insulator Sr 2 IrO 4: A first-principles study using band unfolding technique},

author = {P. Liu and M. Reticcioli and B. Kim and A. Continenza and G. Kresse and D. D. Sarma and X. -Q. Chen and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84997770258&doi=10.1103%2fPhysRevB.94.195145&partnerID=40&md5=ec4ea671d1c2bfa1ae8d836ed77fcd02},

doi = {10.1103/PhysRevB.94.195145},

year  = {2016},

date = {2016-01-01},

journal = {Physical Review B},

volume = {94},

number = {19},

note = {cited By 28},

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@article{Kim2016,

title = {Lifshitz transition driven by spin fluctuations and spin-orbit renormalization in NaOsO3},

author = {B. Kim and P. Liu and Z. Ergönenc and A. Toschi and S. Khmelevskyi and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85009811546&doi=10.1103%2fPhysRevB.94.241113&partnerID=40&md5=1e856d1f6c14483df3418d439887bc32},

doi = {10.1103/PhysRevB.94.241113},

year  = {2016},

date = {2016-01-01},

journal = {Physical Review B},

volume = {94},

number = {24},

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@article{Lahnsteiner2016,

title = {Room-temperature dynamic correlation between methylammonium molecules in lead-iodine based perovskites: An ab initio molecular dynamics perspective},

author = {J. Lahnsteiner and G. Kresse and A. Kumar and D. D. Sarma and C. Franchini and M. Bokdam},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85007415784&doi=10.1103%2fPhysRevB.94.214114&partnerID=40&md5=2482db704fa57ed2cb3e9bc8d923dc93},

doi = {10.1103/PhysRevB.94.214114},

year  = {2016},

date = {2016-01-01},

journal = {Physical Review B},

volume = {94},

number = {21},

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@article{Hao2015,

title = {Coexistence of trapped and free excess electrons in SrTiO3},

author = {X. Hao and Z. Wang and M. Schmid and U. Diebold and C. Franchini},

url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-84922932384&doi=10.1103%2fPhysRevB.91.085204&partnerID=40&md5=4e22e625e681876034e976307e3b1c7c},

doi = {10.1103/PhysRevB.91.085204},

year  = {2015},

date = {2015-01-01},

journal = {Physical Review B - Condensed Matter and Materials Physics},

volume = {91},

number = {8},

note = {cited By 82},

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pubstate = {published},

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