172 entries « ‹ 4 of 4
› » 2007
Franchini, C.; Podloucky, R.; Paier, J.; Marsman, M.; Kresse, G.
Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 75, no. 19, 2007, (cited By 270).
@article{Franchini2007,
title = {Ground-state properties of multivalent manganese oxides: Density functional and hybrid density functional calculations},
author = {C. Franchini and R. Podloucky and J. Paier and M. Marsman and G. Kresse},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-34347326216&doi=10.1103%2fPhysRevB.75.195128&partnerID=40&md5=147ef9c20b3a62eda38d86caa9d26836},
doi = {10.1103/PhysRevB.75.195128},
year = {2007},
date = {2007-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {75},
number = {19},
note = {cited By 270},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Floris, A.; Sanna, A.; Lüders, M.; Profeta, G.; Lathiotakis, N. N.; Marques, M. A. L.; Franchini, C.; Gross, E. K. U.; Continenza, A.; Massidda, S.
Superconducting properties of MgB2 from first principles Journal Article
In: Physica C: Superconductivity and its Applications, vol. 456, no. 1-2, pp. 45-53, 2007, (cited By 39).
@article{Floris200745,
title = {Superconducting properties of MgB2 from first principles},
author = {A. Floris and A. Sanna and M. Lüders and G. Profeta and N. N. Lathiotakis and M. A. L. Marques and C. Franchini and E. K. U. Gross and A. Continenza and S. Massidda},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-34248583608&doi=10.1016%2fj.physc.2007.01.026&partnerID=40&md5=a65ffb5ec954b2817198a021158239ce},
doi = {10.1016/j.physc.2007.01.026},
year = {2007},
date = {2007-01-01},
journal = {Physica C: Superconductivity and its Applications},
volume = {456},
number = {1-2},
pages = {45-53},
note = {cited By 39},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Allegretti, F.; Franchini, C.; Bayer, V.; Leitner, M.; Parteder, G.; Xu, B.; Fleming, A.; Ramsey, M. G.; Podloucky, R.; Surnev, S.; Netzer, F. P.
Epitaxial stabilization of MnO(111) overlayers on a Pd(100) surface Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 75, no. 22, 2007, (cited By 44).
@article{Allegretti2007,
title = {Epitaxial stabilization of MnO(111) overlayers on a Pd(100) surface},
author = {F. Allegretti and C. Franchini and V. Bayer and M. Leitner and G. Parteder and B. Xu and A. Fleming and M. G. Ramsey and R. Podloucky and S. Surnev and F. P. Netzer},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-34347398237&doi=10.1103%2fPhysRevB.75.224120&partnerID=40&md5=2006318bca4a416f343170c1c98bc043},
doi = {10.1103/PhysRevB.75.224120},
year = {2007},
date = {2007-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {75},
number = {22},
note = {cited By 44},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Bayer, V.; Podloucky, R.; Franchini, C.; Allegretti, F.; Xu, B.; Parteder, G.; Ramsey, M. G.; Surnev, S.; Netzer, F. P.
Formation of Mn3 O4 (001) on MnO(001): Surface and interface structural stability Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 76, no. 16, 2007, (cited By 57).
@article{Bayer2007,
title = {Formation of Mn3 O4 (001) on MnO(001): Surface and interface structural stability},
author = {V. Bayer and R. Podloucky and C. Franchini and F. Allegretti and B. Xu and G. Parteder and M. G. Ramsey and S. Surnev and F. P. Netzer},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-35648946314&doi=10.1103%2fPhysRevB.76.165428&partnerID=40&md5=f4aae4477dc8acc2978d76deadab4ed4},
doi = {10.1103/PhysRevB.76.165428},
year = {2007},
date = {2007-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {76},
number = {16},
note = {cited By 57},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2006
Profeta, G.; Franchini, C.; Lathiotakis, N. N.; Floris, A.; Sanna, A.; Marques, M. A. L.; Lüders, M.; Massidda, S.; Gross, E. K. U.; Continenza, A.
Superconductivity in lithium, potassium, and aluminum under extreme pressure: A first-principles study Journal Article
In: Physical Review Letters, vol. 96, no. 4, 2006, (cited By 146).
@article{Profeta2006,
title = {Superconductivity in lithium, potassium, and aluminum under extreme pressure: A first-principles study},
author = {G. Profeta and C. Franchini and N. N. Lathiotakis and A. Floris and A. Sanna and M. A. L. Marques and M. Lüders and S. Massidda and E. K. U. Gross and A. Continenza},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33144485117&doi=10.1103%2fPhysRevLett.96.047003&partnerID=40&md5=627dea56355c1717804f83e7b9904530},
doi = {10.1103/PhysRevLett.96.047003},
year = {2006},
date = {2006-01-01},
journal = {Physical Review Letters},
volume = {96},
number = {4},
note = {cited By 146},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Franchini, C.; Bayer, V.; Podloucky, R.; Parteder, G.; Surnev, S.; Netzer, F. P.
Density functional study of the polar MnO(111) surface Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 73, no. 15, 2006, (cited By 61).
@article{Franchini2006,
title = {Density functional study of the polar MnO(111) surface},
author = {C. Franchini and V. Bayer and R. Podloucky and G. Parteder and S. Surnev and F. P. Netzer},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33645520568&doi=10.1103%2fPhysRevB.73.155402&partnerID=40&md5=fb7642834263d5107175904870eb3c16},
doi = {10.1103/PhysRevB.73.155402},
year = {2006},
date = {2006-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {73},
number = {15},
note = {cited By 61},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Sanna, A.; Franchini, C.; Floris, A.; Profeta, G.; Lathiotakis, N. N.; Lüders, M.; Marques, M. A. L.; Gross, E. K. U.; Continenza, A.; Massidda, S.
Ab initio prediction of pressure-induced superconductivity in potassium Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 73, no. 14, 2006, (cited By 39).
@article{Sanna2006,
title = {Ab initio prediction of pressure-induced superconductivity in potassium},
author = {A. Sanna and C. Franchini and A. Floris and G. Profeta and N. N. Lathiotakis and M. Lüders and M. A. L. Marques and E. K. U. Gross and A. Continenza and S. Massidda},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33645815904&doi=10.1103%2fPhysRevB.73.144512&partnerID=40&md5=a5cd10be8564b3510fdb3d00f9fafa8d},
doi = {10.1103/PhysRevB.73.144512},
year = {2006},
date = {2006-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {73},
number = {14},
note = {cited By 39},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Continenza, A.; Profeta, G.; Floris, A.; Franchini, C.; Massidda, S.; Lathiotakis, N. N.; Marques, M. A. L.; Lüders, M.; Gross, E. K. U.
Ab-initio computation of superconducting properties of elemental superconductors and MgB2 Journal Article
In: Journal of Superconductivity, vol. 18, no. 5-6, pp. 649-652, 2006, (cited By 1).
@article{Continenza2006649,
title = {Ab-initio computation of superconducting properties of elemental superconductors and MgB2},
author = {A. Continenza and G. Profeta and A. Floris and C. Franchini and S. Massidda and N. N. Lathiotakis and M. A. L. Marques and M. Lüders and E. K. U. Gross},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33744523030&doi=10.1007%2fs10948-005-0052-8&partnerID=40&md5=44d45d1d1e09313f29609dbdb791fd07},
doi = {10.1007/s10948-005-0052-8},
year = {2006},
date = {2006-01-01},
journal = {Journal of Superconductivity},
volume = {18},
number = {5-6},
pages = {649-652},
note = {cited By 1},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2005
Floris, A.; Profeta, G.; Lathiotakis, N. N.; Lüders, M.; Marques, M. A. L.; Franchini, C.; Gross, E. K. U.; Continenza, A.; Massidda, S.
Superconducting properties of MgB2 from first principles Journal Article
In: Physical Review Letters, vol. 94, no. 3, 2005, (cited By 131).
@article{Floris2005,
title = {Superconducting properties of MgB2 from first principles},
author = {A. Floris and G. Profeta and N. N. Lathiotakis and M. Lüders and M. A. L. Marques and C. Franchini and E. K. U. Gross and A. Continenza and S. Massidda},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-18144403852&doi=10.1103%2fPhysRevLett.94.037004&partnerID=40&md5=5f2eb857728d5b03da57245581a2592a},
doi = {10.1103/PhysRevLett.94.037004},
year = {2005},
date = {2005-01-01},
journal = {Physical Review Letters},
volume = {94},
number = {3},
note = {cited By 131},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Franchini, C.; Bayer, V.; Podloucky, R.; Paier, J.; Kresse, G.
Density functional theory study of MnO by a hybrid functional approach Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 72, no. 4, 2005, (cited By 158).
@article{Franchini2005,
title = {Density functional theory study of MnO by a hybrid functional approach},
author = {C. Franchini and V. Bayer and R. Podloucky and J. Paier and G. Kresse},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-33749233541&doi=10.1103%2fPhysRevB.72.045132&partnerID=40&md5=db26d5b37c06aebbd61197aeefeb894f},
doi = {10.1103/PhysRevB.72.045132},
year = {2005},
date = {2005-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {72},
number = {4},
note = {cited By 158},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Franchini, C.; Sanna, A.; Massidda, S.; Gauzzi, A.
Chemical-pressure-induced modifications on the magnetic and electronic properties of Ba1-xSrxVS3 Journal Article
In: Europhysics Letters, vol. 71, no. 6, pp. 952-958, 2005, (cited By 3).
@article{Franchini2005952,
title = {Chemical-pressure-induced modifications on the magnetic and electronic properties of Ba1-xSrxVS3},
author = {C. Franchini and A. Sanna and S. Massidda and A. Gauzzi},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-25144509119&doi=10.1209%2fepl%2fi2005-10182-3&partnerID=40&md5=f6051367ce4109720996c9cd9bf91291},
doi = {10.1209/epl/i2005-10182-3},
year = {2005},
date = {2005-01-01},
journal = {Europhysics Letters},
volume = {71},
number = {6},
pages = {952-958},
note = {cited By 3},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2004
Sanna, A.; Franchini, C.; Massidda, S.; Gauzzi, A.
Role of electronic correlations on the ground-state properties and on the pressure-induced metal-insulator transition in BaVS3 Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 70, no. 23, pp. 1-11, 2004, (cited By 8).
@article{Sanna20041,
title = {Role of electronic correlations on the ground-state properties and on the pressure-induced metal-insulator transition in BaVS3},
author = {A. Sanna and C. Franchini and S. Massidda and A. Gauzzi},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-13944266303&doi=10.1103%2fPhysRevB.70.235102&partnerID=40&md5=c791683d03e66e8c02d98db000477692},
doi = {10.1103/PhysRevB.70.235102},
year = {2004},
date = {2004-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {70},
number = {23},
pages = {1-11},
note = {cited By 8},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Lampis, N.; Franchini, C.; Satta, G.; Geddo-Lehmann, A.; Massidda, S.
Electronic structure of PbFe1/2Ta1/2O3: Crystallographic ordering and magnetic properties Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 69, no. 6, 2004, (cited By 66).
@article{Lampis2004,
title = {Electronic structure of PbFe1/2Ta1/2O3: Crystallographic ordering and magnetic properties},
author = {N. Lampis and C. Franchini and G. Satta and A. Geddo-Lehmann and S. Massidda},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-1642418089&doi=10.1103%2fPhysRevB.69.064412&partnerID=40&md5=32f8cfea653313d7ed1b5f9a5227005a},
doi = {10.1103/PhysRevB.69.064412},
year = {2004},
date = {2004-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {69},
number = {6},
note = {cited By 66},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Deisl, C.; Swamy, K.; Memmel, N.; Bertel, E.; Franchini, C.; Schneider, G.; Redinger, J.; Walter, S.; Hammer, L.; Heinz, K.
(3×1)-Br/Pt(110) structure and the charge-density-wave-assisted c (2×2) to (3×1) phase transition Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 69, no. 19, pp. 195405-1-195405-13, 2004, (cited By 22).
@article{Deisl2004195405,
title = {(3×1)-Br/Pt(110) structure and the charge-density-wave-assisted c (2×2) to (3×1) phase transition},
author = {C. Deisl and K. Swamy and N. Memmel and E. Bertel and C. Franchini and G. Schneider and J. Redinger and S. Walter and L. Hammer and K. Heinz},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-42749100205&doi=10.1103%2fPhysRevB.69.195405&partnerID=40&md5=e65e47e1262069453061d45e60405d12},
doi = {10.1103/PhysRevB.69.195405},
year = {2004},
date = {2004-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {69},
number = {19},
pages = {195405-1-195405-13},
note = {cited By 22},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Profeta, G.; Picozzi, S.; Continenza, A.; Franchini, C.
First-stage Mn adsorption on clean Ge(111) Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 70, no. 15, pp. 155307-1-155307-5, 2004, (cited By 8).
@article{Profeta2004155307,
title = {First-stage Mn adsorption on clean Ge(111)},
author = {G. Profeta and S. Picozzi and A. Continenza and C. Franchini},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-42749105972&doi=10.1103%2fPhysRevB.70.155307&partnerID=40&md5=02d6cd90fcb1b3c91638b137d1c7e934},
doi = {10.1103/PhysRevB.70.155307},
year = {2004},
date = {2004-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {70},
number = {15},
pages = {155307-1-155307-5},
note = {cited By 8},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2003
Gauzzi, A.; Licci, F.; Barišić, N.; Calestani, G. L.; Bolzoni, F.; Gilioli, E.; Marezio, M.; Sanna, A.; Franchini, C.; Forró, L.
Chemical pressure-induced ferromagnetism and stabilization of the metallic state in Ba1-xSrxVS3 Journal Article
In: International Journal of Modern Physics B, vol. 17, no. 18-20 II, pp. 3503-3508, 2003, (cited By 9).
@article{Gauzzi20033503,
title = {Chemical pressure-induced ferromagnetism and stabilization of the metallic state in Ba1-xSrxVS3},
author = {A. Gauzzi and F. Licci and N. Barišić and G. L. Calestani and F. Bolzoni and E. Gilioli and M. Marezio and A. Sanna and C. Franchini and L. Forró},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0141679297&doi=10.1142%2fs0217979203021290&partnerID=40&md5=8267f8c4329209a10e429efd121179fe},
doi = {10.1142/s0217979203021290},
year = {2003},
date = {2003-01-01},
journal = {International Journal of Modern Physics B},
volume = {17},
number = {18-20 II},
pages = {3503-3508},
note = {cited By 9},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2002
Blum, V.; Hammer, L.; Heinz, K.; Franchini, C.; Redinger, J.; Swamy, K.; Deisl, C.; Bertel, E.
Structure of the (formula presented)-Br/Pt(110) surface Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 65, no. 16, pp. 1-13, 2002, (cited By 2).
@article{Blum20021,
title = {Structure of the (formula presented)-Br/Pt(110) surface},
author = {V. Blum and L. Hammer and K. Heinz and C. Franchini and J. Redinger and K. Swamy and C. Deisl and E. Bertel},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85038325502&doi=10.1103%2fPhysRevB.65.165408&partnerID=40&md5=e1c4ba7eebbda0e1cfe84708ad615358},
doi = {10.1103/PhysRevB.65.165408},
year = {2002},
date = {2002-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {65},
number = {16},
pages = {1-13},
note = {cited By 2},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Gauzzi, A.; Gilioli, E.; Licci, F.; Marezio, M.; Calestani, G.; Franchini, C.; Massidda, S.
Structural, transport, and electronic properties of a layered dichalcogenide (formula presented) with semimetallic properties Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 66, no. 8, pp. 1-7, 2002, (cited By 0).
@article{Gauzzi20021,
title = {Structural, transport, and electronic properties of a layered dichalcogenide (formula presented) with semimetallic properties},
author = {A. Gauzzi and E. Gilioli and F. Licci and M. Marezio and G. Calestani and C. Franchini and S. Massidda},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85038961362&doi=10.1103%2fPhysRevB.66.085106&partnerID=40&md5=3e5f68927ee91714830043e48a5feeed},
doi = {10.1103/PhysRevB.66.085106},
year = {2002},
date = {2002-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {66},
number = {8},
pages = {1-7},
note = {cited By 0},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Blum, V.; Hammer, L.; Heinz, K.; Franchini, C.; Redinger, J.; Swamy, K.; Deisl, C.; Bertel, E.
Structure of the c(2×2)-Br/Pt(110) surface Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 65, no. 16, pp. 1654081-16540813, 2002, (cited By 32).
@article{Blum20021654081,
title = {Structure of the c(2×2)-Br/Pt(110) surface},
author = {V. Blum and L. Hammer and K. Heinz and C. Franchini and J. Redinger and K. Swamy and C. Deisl and E. Bertel},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0037091475&partnerID=40&md5=85ba2f83a69e25a205ffebd311aef84b},
year = {2002},
date = {2002-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {65},
number = {16},
pages = {1654081-16540813},
note = {cited By 32},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
Gauzzi, A.; Gilioli, E.; Licci, F.; Marezio, M.; Calestani, G.; Franchini, C.; Massidda, S.
Structural, transport, and electronic properties of a layered dichalcogenide AuVS2 with semimetallic properties Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 66, no. 8, pp. 851061-851067, 2002, (cited By 6).
@article{Gauzzi2002851061,
title = {Structural, transport, and electronic properties of a layered dichalcogenide AuVS2 with semimetallic properties},
author = {A. Gauzzi and E. Gilioli and F. Licci and M. Marezio and G. Calestani and C. Franchini and S. Massidda},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0037104303&partnerID=40&md5=b52ca6fcbc87176245704a0c297407e6},
year = {2002},
date = {2002-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {66},
number = {8},
pages = {851061-851067},
note = {cited By 6},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
2000
Franchini, C.; Massidda, S.; Continenza, A.; Gauzzi, A.
Structural and electronic properties of Hg1-yMoyBa2CuO4+δ Journal Article
In: Physical Review B - Condensed Matter and Materials Physics, vol. 62, no. 13, pp. 9163-9171, 2000, (cited By 2).
@article{Franchini20009163,
title = {Structural and electronic properties of Hg1-yMoyBa2CuO4+δ},
author = {C. Franchini and S. Massidda and A. Continenza and A. Gauzzi},
url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-0034289408&doi=10.1103%2fPhysRevB.62.9163&partnerID=40&md5=2185dda1d083568bc69d7d441adffb2d},
doi = {10.1103/PhysRevB.62.9163},
year = {2000},
date = {2000-01-01},
journal = {Physical Review B - Condensed Matter and Materials Physics},
volume = {62},
number = {13},
pages = {9163-9171},
note = {cited By 2},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
0000
Lorenzo Varrassi Lorenzo Celiberti, Cesare Franchini
Pb9Cu(PO4)6O is a charge-transfer semiconductor Unpublished Forthcoming
Forthcoming.
@unpublished{nokey,
title = {Pb9Cu(PO4)6O is a charge-transfer semiconductor},
author = {Lorenzo Celiberti, Lorenzo Varrassi, Cesare Franchini },
abstract = {By means of density functional theory and constrained random phase approximation we analyze
the bandstructure of Pb9Cu(PO4)6O (named LK-99). Our data show that the lead-phosphate
apatite LK-99 in the proposed Cu-doped structure is a semiconductor with predominant charge-
transfer nature, a result incompatible with a superconducting behaviour. In order to understand
the interesting electronic and magnetic properties of this compound, it will be necessary to study
the actual response to doping, the possibility of alternative structural and stoichiometric (dis)orders
and to clarify the magnetic interactions as well as their impact on the electronic structure.},
keywords = {},
pubstate = {forthcoming},
tppubtype = {unpublished}
}
By means of density functional theory and constrained random phase approximation we analyze
the bandstructure of Pb9Cu(PO4)6O (named LK-99). Our data show that the lead-phosphate
apatite LK-99 in the proposed Cu-doped structure is a semiconductor with predominant charge-
transfer nature, a result incompatible with a superconducting behaviour. In order to understand
the interesting electronic and magnetic properties of this compound, it will be necessary to study
the actual response to doping, the possibility of alternative structural and stoichiometric (dis)orders
and to clarify the magnetic interactions as well as their impact on the electronic structure.
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