Publications

Information on our published work can also be obtained via

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Publications and preprints in chronological order (newest first)

• 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
  arXiv:2406.09128 cond-mat

• 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

• 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)