Publications
What we have published so far
On this page
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Publications and preprints
in chronological order (newest first)
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Yttrium Superhydrides Revisited: Advanced Experimental and Theoretical Studies of YH6, YH9 and YH10
D. V. Semenok, P. N. Ferreira, D. Zhou, F. Jöbstl, A. V. Sadakov, K. S. Pervakov, B. I. Massalimov, T. Helm, R. Akashi, V. M. Pudalov, V. V. Struzhkin, C. Heil, and I. A. Troyan
arXiv:2608.11428 cond-mat.supr-con -
Ab initio thermodynamic statistical modeling of the miscibility gap and the metal–insulator transition in SrTi1-xVxO3
L. Wibmer, C. Ostendorf, D. Spath, C. Heil, P. N. Ferreira, and M. Aichhorn
arXiv:2607.07067 cond-mat.str-el -
Ultrafast dynamics and light-induced superconductivity from first principles
A. Simon, J. Shi, E. Kogler, R. Foster, D. Spath, E. Batson, P. N. Ferreira, M. Sahoo, R. Prasankumar, P. D. Keathley, K. K. Berggren, and C. Heil
arXiv:2603.18182 cond-mat.supr-con -
Fast Real-Axis Eliashberg Calculations: Full-bandwidth solutions beyond the constant density of states approximation
A. Simon, J. Shi, D. Spath, E. Kogler, R. Foster, E. Batson, P. N. Ferreira, M. Sahoo, P. D. Keathley, W. E. Pickett, R. Prasankumar, K. K. Berggren, and C. Heil
arXiv:2603.18199 cond-mat.supr-con -
Inverse Isotope Effect in the Ternary Perovskite Hydride SrPdH/D2.9: A Signature of Quantum Zero-Point Fluctuations
W. Lu, M. Sahoo, R. Lucrezi, M. J. Hutcheon, S. Sinha, P. N. Ferreira, C. J. Pickard, Q. Zhang, M. N. Julian, R. P. Prasankumar, C. Heil, and T. A. Strobel
arXiv:2602.23691 cond-mat.supr-con -
High-pressure stabilization of Mg2IrH7: Structural proximity to high-Tc superconductivity
S. Sinha, W. Lu, M. F. Hansen, M. J. Hutcheon, T. W. Bontke, L. J. Conway, K. Dolui, C. J. Pickard, C. Heil, P. A. Guńka, S. Chariton, V. Prakapenka, L. Deng, C.-W. Chu, M. N. Julian, R. P. Prasankumar, and T. A. Strobel
arXiv:2602.23675 cond-mat.supr-con -
First-principles evidence for conventional superconductivity in a quasicrystal approximant
P. N. Ferreira, R. Lucrezi, S. Lee, L. Nathwani, M. Julian, R. P. Prasankumar, W. E. Pickett, C. J. Pickard, P. Kim, and C. Heil
arXiv:2511.09224 cond-mat -
Quantum disorder engineering in superconducting Ti(O,N) thin films
F. Li, S. Aamlid, O. A. Dicks, M.-G. Han, G. Levy, R. Sutarto, Z. Chen, C. Liu, H.-H. Kung, S. Godin, B. A. Davidson, Z. G. Cheng, A. Damascelli, Y. Zhu, C. Heil, I. Elfimov, G. A. Sawatzky, and K. Zou
Phys. Rev. B 114, 065415 (2026), doi:10.1103/cjgd-fjh2 -
The path to room-temperature superconductivity: A programmatic approach
R. P. Prasankumar, M. Julian, M. Hutcheon, and C. Heil, L. Deng, D. Basov, C.-W. Chu, R. Comin, P. Kim, B. Meredig, C. Pickard, W. E. Pickett, T. Strobel, S. Wolf, E. Zurek, and N. Myhrvold
PNAS 123, 11 (2026), doi:10.1073/pnas.2520324123 -
Superconducting High-Pressure Forms of LiSi and LiGe Featuring Square Planar Nets
D. C. Beyer, K. Spektor, R. Lucrezi, P. N. Ferreira, C. Heil, S. Bhat, R. Farla, V. Baran, M. A. Karlsen, M. Etter, V. Stephan, M. Boerner, C. Owen, A. J. Morris, H. Kohlmann, and U. Häussermann
Chem. Mater. (2026), doi:10.1021/acs.chemmater.5c02061 -
Investigation of the La–Al–H and La–Si–H Systems at High Pressures
D. C. Beyer, P. N. Ferreira, R. Lucrezi, L. T. F. Eleno, H. Kohlmann, C. Heil, M. S. Targama, V. Baran, S. Bhat, R. Farla, K. Spektor, and U. Häussermann
Inorg. Chem. (2026), doi:10.1021/acs.inorgchem.5c05140 -
Vacancy-free cubic superconducting NbN enabled by quantum anharmonicity
E. Kogler, M. R. Sahoo, C.-N. Tsai, F. Jöbstl, R. Lucrezi, P. I. C. Cooke, B. Kunert, R. Resel, C. J. Pickard, M. N. Julian, R. P. Prasankumar, M. I. Hussein, and C. Heil
Commun. Mater. (2025), doi:10.1038/s43246-025-01004-w -
Stability and Superconductivity of Ternary Polyhydrides
D. V. Semenok, D. Zhou, W. Chen, A. G. Kvashnin, A. V. Sadakov, T. Helm, P. N. Ferreira, C. Heil, V. M. Pudalov, I. A. Troyan, V. V. Struzhkin
Ann. Phys. 2025, e00467, doi:10.1002/andp.202500467 -
Ab initio modeling of single-photon detection in superconducting detectors and qubits
A. Simon, R. Foster, M. Sahoo, J. Shi, E. Batson, F. Incalza, C. Heil, and K. K. Berggren
Phys. Rev. B 112, 174512 (2025), doi:10.1103/3m2k-mzr6 -
Prediction and synthesis of Mg4Pt3H6: A superconducting complex transition metal hydride stabilized at ambient pressure
W. Lu, M. J. Hutcheon, M. F. Hansen, K. Dolui, S. Sinha, M. R. Sahoo, C. J. Pickard, C. Heil, A. Pakhomova, M. Mezouar, D. Daisenberger, S. Chariton, V. Prakapenka, M. N. Julian, R. P. Prasankumar, and T. A. Strobel
Phys. Rev. B 112, 094513 (2025), doi:10.1103/PhysRevB.112.094513 -
IsoME: Streamlining High-Precision Eliashberg Calculations
E. Kogler, D. Spath, R. Lucrezi, H. Mori, Z. Zhu, Z. Li, E. R. Margine, and C. Heil
Comput. Phys. Commun. 315, 109720 (2025) -
Synthesis of Mg2IrH5: A potential pathway to high-Tc hydride superconductivity at ambient pressure
M. F. Hansen, L. J. Conway, K. Dolui, C. Heil, C. J. Pickard, A. Pakhamova, M. Mezouar, M. Kunz, R. P. Prasankumar, and T. A. Strobel
Phys. Rev. B 110, 214513 (2024), doi:10.1103/PhysRevB.110.214513 -
Nevanlinna Analytic Continuation for Migdal-Eliashberg Theory
D. M. Khodachenko, R. Lucrezi, P. N. Ferreira, M. Aichhorn, and C. Heil
Comput. Mater. Today (2024), 100015, doi:10.1016/j.commt.2024.100015 -
Ab initio modeling of superconducting alloys
P. N. Ferreira, R. Lucrezi, I. Guilhon, M. Marques, L. K. Teles, C. Heil, and L. T. F. Eleno
Mater. Today Phys. 48, 101547 (2024), doi:10.1016/j.mtphys.2024.101547 -
Machine learning assisted prediction of organic salt structure properties
E. P. Shapera, D.-K. Bucar, R. P. Prasankumar, and C. Heil
npj Comp. Mat. 10, 176 (2024), doi:10.1038/s41524-024-01355-x -
Probing the superconducting gap structure of ScRuSi via μSR and first-principles calculations
K. Panda, A. Bhattacharyya, P. N. Ferreira, R. Mondal, A. Thamizhavel, D. T. Adroja, C. Heil, L. T. F. Eleno, and A. D. Hillier
Phys. Rev. B 109, 224517 (2024), doi:10.1103/PhysRevB.109.224517 -
Feasible route to high-temperature ambient-pressure hydride superconductivity
R. Dolui, L. J. Conway, C. Heil, T. A. Strobel, R. Prasankumar, C. J. Pickard
Phys. Rev. Lett. 132, 166001 (2024), doi:10.1103/PhysRevLett.132.166001 -
Full-bandwidth anisotropic Migdal-Eliashberg theory and its application to superhydrides
R. Lucrezi, P. P. Ferreira, S. Hajinazar, H. Mori, H. Paudyal, E. R. Margine, and C. Heil
Commun. Phys. 7, 33 (2024), doi:10.1038/s42005-024-01528-6 -
Temperature and quantum anharmonic lattice effects on stability and superconductivity in lutetium trihydride
R. Lucrezi, P. P. Ferreira, M. Aichhorn, and C. Heil
Nat. Commun. 15, 441 (2024), doi:10.1038/s41467-023-44326-4 -
Quantum lattice dynamics and their importance in ternary superhydride clathrates
R. Lucrezi, E. Kogler, S. Di Cataldo, M. Aichhorn, L. Boeri, and C. Heil
Commun. Phys. 6, 298 (2023), doi:10.1038/s42005-023-01413-8 -
Search for ambient superconductivity in the Lu-N-H system
P. P. Ferreira, L. J. Conway, A. Cucciari, S. Di Cataldo, F. Giannessi, E. Kogler, L. T. F. Eleno, C. J. Pickard, C. Heil, and L. Boeri
Nat. Commun. 14, 5367 (2023), doi:10.1038/s41467-023-41005-2 -
Superconductivity in Te-deficient ZrTe2
L. E. Correa, P. P. Ferreira, L. R. de Faria, V. M. Fim, M. S. da Luz, M. S. Torikachvili, C. Heil, L. T. F. Eleno, and A. J. S. Machado
J. Phys. Chem. C 2023, 127, 10, 5162–5168, doi:10.1021/acs.jpcc.2c0883 -
In-silico synthesis of lowest-pressure high-Tc ternary superhydrides
R. Lucrezi, S. di Cataldo, W. von der Linden, L. Boeri, and C. Heil
npj Comp. Mat. 8, 119 (2022), doi:10.1038/s41524-022-00801-y -
Intrinsic and doping-enhanced superconductivity in monolayer 1H-TaS2: Critical role of charge ordering and spin-orbit coupling
C.-S. Lian, C. Heil, X. Liu, C. Si, F. Giustino, and W. Duan
Phys. Rev. B 105, L180505 (2022), doi:10.1103/PhysRevB.105.L180505 -
The 2021 Room-Temperature Superconductivity Roadmap
L. Boeri, R.G. Hennig, P.J. Hirschfeld, G. Profeta, A. Sanna, E. Zurek, W.E. Pickett, M. Amsler, R. Dias, M. Eremets, C. Heil, R. Hemley, H. Liu, Y. Ma, C. Pierleoni, A. Kolmogorov, N. Rybin, D. Novoselov, V.I. Anisimov, A.R. Oganov, C.J. Pickard, T. Bi, R. Arita, I. Errea, C. Pellegrini, R. Requist, E.K.U. Gross, E.R. Margine, S.R. Xie, Y. Quan, A. Hire, L. Fanfarillo, G.R. Stewart, J.J. Hamlin, V. Stanev, R.S. Gonnelli, E. Piatti, D. Romanin, D. Daghero, and R. Valenti
JPhys. Condens. Matter 34, 183002 (2022), doi:10.1088/1361-648X/ac2864 -
Probing magnetic exchange interactions with helium
C. Trainer, C.M. Yim, C. Heil, L.S. Farrar, V. Tsurkan, A. Loidl, and P. Wahl
Phys. Rev. Lett. 127, 166803 (2021), doi:10.1103/PhysRevLett.127.166803 -
LaBH8: the first high-Tc low-pressure superhydride
S. di Cataldo, C. Heil, W. von der Linden, and L. Boeri
Phys. Rev. B 104, L020511 (2021), doi:10.1103/PhysRevB.104.L020511 -
Strain-Stabilized (π,π) Order at the Surface of Fe1+xTe
C.M. Yim, S.N. Panja, C. Trainer, C. Topping, C. Heil, A.S. Gibbs, O.V. Magdysyuk, V. Tsurkan, A. Loidl, A.W. Rost, and P. Wahl
Nano Lett. 21, 7, 2786 (2021), doi: 10.1021/acs.nanolett.0c04821 -
Superconductivity and strong anharmonicity in novel Nb-S phases
R. Lucrezi and C. Heil
J. Phys.: Condens. Matter 33, 174001 (2021), doi: 10.1088/1361-648X/abda7a -
Magnetic surface reconstruction in the van-der-Waals antiferromagnet Fe1+xTe
C. Trainer, M. Songvilay, N. Qureshi, A. Stunault, C. M. Yim, E. E. Rodriguez, C. Heil, V. Tsurkan, A. Loidl, P. Wahl, and C. Stock
Phys. Rev. B 103, 024406 (2021), doi:10.1103/PhysRevB.103.024406 -
Electronic, vibrational, and electron-phonon coupling properties in SnSe2 and SnS2 under pressure
G. P. Kafle, C. Heil, H. Paudyal, and E. R. Margine
J. Mater. Chem. C 8 (46), 16404, 2020, doi: 10.1039/D0TC04356G -
The 2021 Quantum Materials Roadmap
F. Giustino, M. Bibes, J. H. Lee, F. Trier, R. Valentí, S. M. Winter, Y.-W. Son, L. Taillefer, C. Heil, A. I. Figueroa, B. Plaçais, Q. Wu, O. V. Yazyev, E. P. A. M. Bakkers, J. Nygård, P. Forn-Díaz, S. de Franceschi, L. E. F. Foa Torres, J. McIver, A. Kumar, T. Low, R. Galceran, S. O. Valenzuela, M. V. Costache, A. Manchon., E.-A. Kim, G. R. Schleder, A. Fazzio, and S. Roche
JPhys. Materials 3, 042006, doi: 10.1088/2515-7639/abb74e -
Electronic structure and superconductivity of the non-centrosymmetric Sn4As3
C. A. Marques, M. J. Neat, C. M. Yim, M. D. Watson, C. Heil, K. S. Pervakov, V. A. Vlasenko, V. M. Pudalov, A.V. Muratov, T. K. Kim, and P. Wahl
New J. Phys. 22, 063049 (2020) -
Coexistence of Superconductivity with Enhanced Charge Density Wave Order in the Two-Dimensional Limit of TaSe2
C.-S. Lian, C. Heil, X. Liu, C. Si, F. Giustino, and W. Duan
J. Phys. Chem. Lett. 2019, 10, 14, 4076-4081 -
Superconductivity in sodalite-like yttrium hydride clathrates
C. Heil, S. di Cataldo, G. B. Bachelet, and L. Boeri
Phys. Rev. B 99, 220502(R) (2019) -
Manipulating surface magnetic order in iron telluride
C. Trainer, C. M. Yim, C. Heil, F. Giustino, C. Croitori, V. Tsurkan, A. Loidl, E. E. Rodriguez, C. Stock, and P. Wahl
Sci. Adv. 5, 3 (2019) eaav3478 -
Quasiparticle GW band structures and Fermi surfaces of bulk and monolayer NbS2
C. Heil, M. Schlipf, and F. Giustino
Phys. Rev. B 98, 075120 (2018) -
Unusual Pressure-Induced Periodic Lattice Distortion in SnSe2
J. Ying, H. Paudyal, C. Heil, X.-J. Chen, V. V. Struzhkin, and E. R. Margine
Phys. Rev. Lett. 121, 027003 (2018) -
Absence of superconductivity in iron polyhydrides at high pressures
C. Heil, G. B. Bachelet, and L. Boeri
Phys. Rev. B 97, 214510 (2018) -
Origin of Superconductivity and Latent Charge Density Wave in NbS2
C. Heil, S. Poncé, H. Lambert, M. Schlipf, E. R. Margine, and F. Giustino
Phys. Rev. Lett. 119, 087003 (2017) -
Search for high-Tc conventional superconductivity at megabar pressures in the lithium-sulfur system
C. Kokail, C. Heil, and L. Boeri
Phys. Rev. B 94, 060502(R) (2016) -
Superconductivity in metastable phases of phosphorus-hydride compounds under high pressure
J.A. Flores-Livas, M. Amsler, C. Heil, A. Sanna, L. Boeri, G. Profeta, C. Wolverton, S. Goedecker, and E.K.U. Gross
Phys. Rev. B 93, 020508(R) (2016) -
Influence of bonding on superconductivity in high-pressure hydrides
C. Heil and L. Boeri
Phys. Rev. B 92, 060508(R) (2015) -
Effect of the iron valence in the two types of layers in LiFeO2Fe2Se2
C. Heil, L. Boeri, H. Sormann, W. von der Linden, and M. Aichhorn
Phys. Rev. B 90, 165122 (2014) -
Accurate bare susceptibilities from full-potential ab initio calculations
C. Heil, H. Sormann, L. Boeri, M. Aichhorn, and W. von der Linden
Phys. Rev. B 90, 115143 (2014) -
Steady-state spectra, current, and stability diagram of a quantum dot: A nonequilibrium variational cluster approach
M. Nuss, C. Heil, M. Ganahl, M. Knap, H.G. Evertz, E. Arrigoni, and W. von der Linden
Phys. Rev. B 86, 245119 (2012) -
Strong coupling expansion for the Bose-Hubbard and Jaynes-Cummings lattice models
C. Heil and W. von der Linden
J. Phys. Condens. Matter 24, 295601 (2012) -
Impact of the beam pipe design on the operation parameters of the superconducting magnets for the SIS 100 synchrotron of the FAIR project
E. Fischer, P. Schnizer, C. Heil, A. Mierau, B. Schnizer, and S. Shim
J. Phys. Conf. Series 234, 032012 (2010)