Publications

Below you’ll find references to work developed within the scope of ComputEEL/MatSci. You can find other publications, from different collaborations, under each team member profile page, including links to academic content aggregators. Doi and full $Bib\TeX$ entries are provided so that you can easily cite us :wink:!
  1. da Silva, A.A.A.P., Ferreira, P.P., Dorini, T.T., Coelho, G.C., Nunes, C.A., & Eleno, L.T.F. (2024) Thermodynamic assessment of the Ta–Ge system supported by ab initio calculations. Calphad, 84, 102669. 
    @article{da2024thermodynamic,
  title = "Thermodynamic assessment of the Ta--Ge system supported by ab initio calculations",
  author = "da Silva, Antonio Augusto Araujo Pinto and Ferreira, Pedro Pires and Dorini, Thiago Trevizam and Coelho, Gilberto Carvalho and Nunes, Carlos Angelo and Eleno, Luiz Tadeu Fernandes",
  journal = "Calphad",
  volume = "84",
  pages = "102669",
  year = "2024",
  computeel = "Eleno, Ferreira",
  publisher = "Elsevier"
}
  2. Panda, K., Bhattacharyya, A., Ferreira, P.N., Mondal, R., Thamizhavel, A., Adroja, D.T., Heil, C., Eleno, L.T.F., & Hillier, A.D. (2024) Probing the superconducting gap structure of ScRuSi via μSR and first-principles calculations. Physical Review B, 109, 224517. 
    @article{panda2024probing,
  title = "Probing the superconducting gap structure of ScRuSi via $\mu$ SR and first-principles calculations",
  author = "Panda, K and Bhattacharyya, A and Ferreira, PN and Mondal, Rajib and Thamizhavel, A and Adroja, DT and Heil, C and Eleno, LTF and Hillier, AD",
  journal = "Physical Review B",
  volume = "109",
  number = "22",
  pages = "224517",
  year = "2024",
  computeel = "Eleno, Ferreira",
  publisher = "APS"
}
  3. Ferreira, P.N., Lucrezi, R., Guilhon, I., Marques, M., Teles, L.K., Heil, C., & Eleno, L.T.F. (2024) Ab initio modeling of superconducting alloys. Materials Today Physics, 48, 101547. 
    @article{ferreira2024ab,
  title = "Ab initio modeling of superconducting alloys",
  author = "Ferreira, Pedro N and Lucrezi, Roman and Guilhon, Ivan and Marques, Marcelo and Teles, Lara K and Heil, Christoph and Eleno, Luiz TF",
  journal = "Materials Today Physics",
  volume = "48",
  pages = "101547",
  year = "2024",
  computeel = "Eleno, Ferreira",
  publisher = "Elsevier"
}
  4. Bhattacharyya, A., Adroja, D.T., Jana, A.K., Panda, K., Ferreira, P.P., Zhao, Y., Ying, T., Hosono, H., Dorini, T.T., Eleno, L.T.F., & others (2024) Exploring superconductivity in Ba3Ir4Ge16: Experimental and theoretical insights. Journal of Alloys and Compounds, 978, 173374. 
    @article{bhattacharyya2024exploring,
  title = "Exploring superconductivity in Ba3Ir4Ge16: Experimental and theoretical insights",
  author = "Bhattacharyya, A and Adroja, DT and Jana, AK and Panda, K and Ferreira, PP and Zhao, Y and Ying, T and Hosono, H and Dorini, TT and Eleno, LTF and others",
  journal = "Journal of Alloys and Compounds",
  volume = "978",
  pages = "173374",
  year = "2024",
  computeel = "Eleno, Ferreira",
  publisher = "Elsevier"
}
  5. Martinez, G.A.S., Rodrigues, A.D.K., De Lima Marcondes Monteiro, G., Eleno, L.T.F., & Qian, W.L. (2023) Classfication of wire plastic deformation processes using convolutional neural networks. DYNA New Technologies, 10, NT10918. 
    @article{martinez2023classfication,
  title = "Classfication of wire plastic deformation processes using convolutional neural networks",
  author = "Martinez, Gustavo Aristides Santana and Rodrigues, Arthur D. K. and De Lima Marcondes Monteiro, Giuliana and Eleno, Luiz Tadeu Fernandes and Qian, Wei Liang",
  journal = "DYNA New Technologies",
  volume = "10",
  number = "1",
  pages = "NT10918",
  computeel = "Eleno",
  year = "2023"
}
  6. Ferreira, P.P., Conway, L.J., Cucciari, A., Di Cataldo, S., Giannessi, F., Kogler, E., Eleno, L.T.F., Pickard, C.J., Heil, C., & Boeri, L. (2023) Search for ambient superconductivity in the Lu-N-H system. Nat. Commun., 14, 1–10.

    DOI: 10.1038/s41467-023-41005-2

    @article{Ferreira2023,
  author = "Ferreira, Pedro P. and Conway, Lewis J. and Cucciari, Alessio and Di Cataldo, Simone and Giannessi, Federico and Kogler, Eva and Eleno, Luiz T. F. and Pickard, Chris J. and Heil, Christoph and Boeri, Lilia",
  title = "{Search for ambient superconductivity in the Lu-N-H system}",
  journal = "Nat. Commun.",
  year = "2023",
  volume = "14",
  number = "5367",
  pages = "1--10",
  computeel = "Eleno, Ferreira",
  doi = "10.1038/s41467-023-41005-2"
}
  7. Correa, L.E., Ferreira, P.P., de Faria, L.R., Fim, V.M., da Luz, M.S., Torikachvili, M.S., Heil, C., Eleno, L.T.F., & Machado, A.J.S. (2023) Superconductivity in Te-deficient ZrTe2. The Journal of Physical Chemistry C, 127, 5162–5168. 
    @article{correa2023superconductivity,
  title = "Superconductivity in Te-deficient ZrTe2",
  author = "Correa, Lucas E and Ferreira, Pedro P and de Faria, Leandro R and Fim, Vitor M and da Luz, Mario S and Torikachvili, Milton S and Heil, Christoph and Eleno, Luiz TF and Machado, Antonio JS",
  journal = "The Journal of Physical Chemistry C",
  volume = "127",
  number = "10",
  pages = "5162--5168",
  year = "2023",
  computeel = "Eleno, Ferreira",
  publisher = "American Chemical Society"
}
  8. Correa, L.E., Ferreira, P.P., de Faria, L.R., Dorini, T.T., da Luz, M.S., Fisk, Z., Torikachvili, M.S., Eleno, L.T.F., & Machado, A.J.S. (2022) Evidence for multiband superconductivity and charge density waves in Ni-doped ZrTe2. J. Alloys Compd., 907, 164477.

    DOI: 10.1016/j.jallcom.2022.164477

    @article{Correa2022,
  author = "Correa, Lucas E. and Ferreira, Pedro P. and de Faria, Leandro R. and Dorini, Thiago T. and da Luz, M{\'{a}}rio S. and Fisk, Zachary and Torikachvili, Milton S. and Eleno, Luiz T.F. and Machado, Antonio J.S.",
  title = "Evidence for multiband superconductivity and charge density waves in Ni-doped {ZrTe}2",
  journal = "J. Alloys Compd.",
  year = "2022",
  volume = "907",
  pages = "164477",
  month = jun,
  computeel = "Eleno, Ferreira, Machado, Correa, Dorini",
  doi = "10.1016/j.jallcom.2022.164477",
  publisher = "Elsevier {BV}",
  url = "https://doi.org/10.1016%2Fj.jallcom.2022.164477"
}
  9. Bhattacharyya, A., Lees, M.R., Panda, K., Ferreira, P.P., Dorini, T.T., Gaudry, E., Eleno, L.T.F., Anand, V.K., Sannigrahi, J., Biswas, P.K., Tripathi, R., & Adroja, D.T. (2022) Nodeless time-reversal symmetry breaking in the centrosymmetric superconductor \mathrmSc_5\mathrmCo_4\mathrmSi_10 probed by muon-spin spectroscopy. Phys. Rev. Mater., 6, 064802.

    DOI: 10.1103/PhysRevMaterials.6.064802

    @article{Bhattacharyya2022,
  author = "Bhattacharyya, A. and Lees, M. R. and Panda, K. and Ferreira, P. P. and Dorini, T. T. and Gaudry, Emilie and Eleno, L. T. F. and Anand, V. K. and Sannigrahi, J. and Biswas, P. K. and Tripathi, R. and Adroja, D. T.",
  title = "{Nodeless time-reversal symmetry breaking in the centrosymmetric superconductor ${\mathrm{Sc}}_{5}{\mathrm{Co}}_{4}{\mathrm{Si}}_{10}$ probed by muon-spin spectroscopy}",
  journal = "Phys. Rev. Mater.",
  year = "2022",
  volume = "6",
  number = "6",
  pages = "064802",
  computeel = "Eleno, Ferreira, Dorini",
  doi = "10.1103/PhysRevMaterials.6.064802"
}
  10. Silva, A.A.A.P., Lamoglia, M.S., Silva, G., Fiorani, J.-M., David, N., Vilasi, M., Coelho, G.C., Nunes, C.A., & Eleno, L.T.F. (2021) Heat capacity measurements of the Fe2Nb and Fe7Nb6 intermetallic compounds. J. Alloys Compd., 878, 160411.

    DOI: 10.1016/j.jallcom.2021.160411

    @article{Silva2021,
  author = "Silva, Antonio A. A. P. and Lamoglia, Marcela S. and Silva, Gilbert and Fiorani, Jean-Marc and David, Nicolas and Vilasi, Michel and Coelho, Gilberto C. and Nunes, Carlos A. and Eleno, Luiz T. F.",
  title = "{Heat capacity measurements of the Fe2Nb and Fe7Nb6 intermetallic compounds}",
  journal = "J. Alloys Compd.",
  year = "2021",
  volume = "878",
  pages = "160411",
  month = oct,
  issn = "0925-8388",
  computeel = "Eleno",
  doi = "10.1016/j.jallcom.2021.160411",
  publisher = "Elsevier"
}
  11. Santos, J.C.P.dos, Silva, A.A.A.P.da, Ferreira, P.P., Dorini, T.T., Barros, D.F.de, Abreu, D.A.de, Eleno, L.T.F., Nunes, C.A., & Coelho, G.C. (2021) Thermodynamic modeling of the Al-Nb-V system. Calphad, 74, 102321.

    DOI: 10.1016/j.calphad.2021.102321

    @article{Santos2021,
  author = "Santos, J{\ifmmode\acute{u}\else\'{u}\fi}lio C{\ifmmode\acute{e}\else\'{e}\fi}sar Pereira dos and Silva, Antonio Augusto Ara{\ifmmode\acute{u}\else\'{u}\fi}jo Pinto da and Ferreira, Pedro Pires and Dorini, Thiago Trevizam and Barros, Denis Felipe de and Abreu, Danilo Alencar de and Eleno, Luiz Tadeu Fernandes and Nunes, Carlos Angelo and Coelho, Gilberto Carvalho",
  title = "{Thermodynamic modeling of the Al-Nb-V system}",
  journal = "Calphad",
  year = "2021",
  volume = "74",
  pages = "102321",
  month = sep,
  issn = "0364-5916",
  computeel = "Eleno, Dorini, Ferreira",
  doi = "10.1016/j.calphad.2021.102321",
  publisher = "Pergamon"
}
  12. Ferreira, P.P., Manesco, A.L.R., Dorini, T.T., Correa, L.E., Weber, G., Machado, A.J.S., & Eleno, L.T.F. (2021) Strain engineering the topological type-II Dirac semimetal NiTe_2. Phys. Rev. B, 103, 125134.

    DOI: 10.1103/PhysRevB.103.125134

    @article{Ferreira2021,
  author = "Ferreira, P. P. and Manesco, A. L. R. and Dorini, T. T. and Correa, L. E. and Weber, G. and Machado, A. J. S. and Eleno, L. T. F.",
  title = "Strain engineering the topological type-{II} {D}irac semimetal {NiTe}$_{2}$",
  journal = "Phys. Rev. B",
  year = "2021",
  volume = "103",
  number = "12",
  pages = "125134",
  computeel = "Eleno, Ferreira, Manesco, Dorini, Correa, Weber, Machado",
  doi = "10.1103/PhysRevB.103.125134"
}
  13. Dorini, T.T., Freitas, B.X.de, Ferreira, P.P., Chaia, N., Suzuki, P.A., Joubert, J.-M., Nunes, C.A., Coelho, G.C., & Eleno, L.T.F. (2021) T2 phase site occupancies in the Cr–Si–B system: a combined synchroton-XRD/first-principles study. Scr. Mater., 199, 113854.

    DOI: 10.1016/j.scriptamat.2021.113854

    @article{Dorini2021,
  author = "Dorini, Thiago T. and Freitas, Bruno X. de and Ferreira, Pedro P. and Chaia, Nabil and Suzuki, Paulo A. and Joubert, Jean-Marc and Nunes, Carlos A. and Coelho, Gilberto C. and Eleno, Luiz T. F.",
  title = "{T2 phase site occupancies in the Cr{\textendash}Si{\textendash}B system: a combined synchroton-XRD/first-principles study}",
  journal = "Scr. Mater.",
  year = "2021",
  volume = "199",
  pages = "113854",
  month = jul,
  issn = "1359-6462",
  computeel = "Eleno, Dorini, Ferreira",
  doi = "10.1016/j.scriptamat.2021.113854",
  publisher = "Pergamon"
}
  14. De Faria, L.R., Ferreira, P.P., Correa, L.E., Eleno, L.T.F., Torikachvili, M.S., & Machado, A.J.S. (2021) Possible multiband superconductivity in the quaternary carbide YRe2SiC. Supercond. Sci. Technol., 34, 065010.

    DOI: 10.1088/1361-6668/abf7cf

    @article{DeFaria2021,
  author = "De Faria, L. R. and Ferreira, P. P. and Correa, L. E. and Eleno, L. T. F. and Torikachvili, M. S. and Machado, A. J. S.",
  title = "{Possible multiband superconductivity in the quaternary carbide YRe2SiC}",
  journal = "Supercond. Sci. Technol.",
  year = "2021",
  volume = "34",
  number = "6",
  pages = "065010",
  month = may,
  issn = "0953-2048",
  computeel = "Eleno, Ferreira",
  doi = "10.1088/1361-6668/abf7cf",
  publisher = "IOP Publishing"
}
  15. Bhattacharyya, A., Ferreira, P.P., Panda, K., Masunaga, S.H., de Faria, L.R., Correa, L.E., Santos, F.B., Adroja, D.T., Yokoyama, K., Dorini, T.T., Jardim, R.F., Eleno, L.T.F., & Machado, A.J.S. (2021) Electron-phonon superconductivity in C-doped topological nodal-line semimetal Zr5Pt3: a muon spin rotation and relaxation (μSR) study. J. Phys.: Condens. Matter, 34, 035602.

    DOI: 10.1088/1361-648x/ac2bc7

    @article{Bhattacharyya2021,
  author = "Bhattacharyya, A. and Ferreira, P. P. and Panda, K. and Masunaga, S. H. and de Faria, L. R. and Correa, L. E. and Santos, F. B. and Adroja, D. T. and Yokoyama, K. and Dorini, T. T. and Jardim, R. F. and Eleno, L. T. F. and Machado, A. J. S.",
  title = "{Electron-phonon superconductivity in C-doped topological nodal-line semimetal Zr5Pt3: a muon spin rotation and relaxation ({$\mu$}SR) study}",
  journal = "J. Phys.: Condens. Matter",
  year = "2021",
  volume = "34",
  number = "3",
  pages = "035602",
  computeel = "Eleno, Ferreira, Dorini, Correa, Weber, Machado",
  doi = "10.1088/1361-648x/ac2bc7",
  publisher = "IOP Publishing"
}
  16. Bhattacharyya, A., Ferreira, P.P., Santos, F.B., Adroja, D.T., Lord, J.S., Correa, L.E., Machado, A.J.S., Manesco, A.L.R., & Eleno, L.T.F. (2020) Two-band superconductivity with unconventional pairing symmetry in HfV_2Ga_4. Phys. Rev. Research, 2, 022001.

    DOI: 10.1103/PhysRevResearch.2.022001

    @article{Bhattacharyya2020,
  author = "Bhattacharyya, A. and Ferreira, P. P. and Santos, F. B. and Adroja, D. T. and Lord, J. S. and Correa, L. E. and Machado, A. J. S. and Manesco, A. L. R. and Eleno, L T. F.",
  title = "Two-band superconductivity with unconventional pairing symmetry in HfV$_2$Ga$_{4}$",
  journal = "Phys. Rev. Research",
  year = "2020",
  volume = "2",
  pages = "022001",
  computeel = "Eleno, Ferreira, Machado, Santos, Correa, Manesco",
  doi = "10.1103/PhysRevResearch.2.022001",
  issue = "2"
}
  17. de Freitas, B.X., Dorini, T.T., Coelho, G.C., Nunes, C.A., & Eleno, L.T.F. (2019) Thermodynamic assessment of the RE–Zn (RE = Dy, Er, Ho, Tb) binaries as a starting step for a Mg–Zn–Zr–Rare earth multicomponent database. Calphad, 67, 101676.

    DOI: 10.1016/j.calphad.2019.101676

    @article{bruno2019,
  title = "Thermodynamic assessment of the RE–Zn (RE = Dy, Er, Ho, Tb) binaries as a starting step for a Mg–Zn–Zr–Rare earth multicomponent database",
  author = "de Freitas, Bruno X. and Dorini, Thiago T. and Coelho, Gilberto C. and Nunes, Carlos A. and Eleno, Luiz T.F.",
  journal = "Calphad",
  volume = "67",
  pages = "101676",
  year = "2019",
  doi = "10.1016/j.calphad.2019.101676",
  computeel = "Eleno, Dorini"
}
  18. Dorini, T.T. & Eleno, L.T.F. (2019) Liquid Bi-Pb and Bi-Li alloys: Mining thermodynamic properties from ab-initio molecular dynamics calculations using thermodynamic models. Calphad, 67, 101687.

    DOI: 10.1016/j.calphad.2019.101687

    @article{Dorini2019,
  author = "Dorini, Thiago T. and Eleno, Luiz T.F.",
  title = "Liquid Bi-Pb and Bi-Li alloys: Mining thermodynamic properties from ab-initio molecular dynamics calculations using thermodynamic models",
  journal = "Calphad",
  year = "2019",
  volume = "67",
  pages = "101687",
  computeel = "Eleno, Dorini",
  doi = "10.1016/j.calphad.2019.101687"
}
  19. de Lima, B.S., de Cassia, R.R., Santos, F.B., Correa, L.E., Grant, T.W., Manesco, A.L.R., Martins, G.W., Eleno, L.T.F., Torikachvili, M.S., & Machado, A.J.S. (2018) Properties and superconductivity in Ti-doped NiTe2 single crystals. Solid State Commun., 283, 27–31.

    DOI: 10.1016/j.ssc.2018.08.014

    @article{de_Lima_2018,
  author = "de Lima, B.S. and de Cassia, R.R. and Santos, F.B. and Correa, L.E. and Grant, T.W. and Manesco, A.L.R. and Martins, GW and Eleno, LTF and Torikachvili, M.S. and Machado, A.J.S.",
  title = "Properties and superconductivity in Ti-doped {NiTe}2 single crystals",
  journal = "Solid State Commun.",
  year = "2018",
  volume = "283",
  pages = "27-31",
  computeel = "Eleno, Correa, Manesco, Martins, Machado",
  doi = "10.1016/j.ssc.2018.08.014"
}
  20. Ferreira, P.P., Dorini, T.T., Santos, F.B., Machado, A.J.S., & Eleno, L.T.F. (2018) Elastic anisotropy and thermal properties of extended linear chain compounds MV2Ga4 (M = Sc, Zr, Hf) from ab-initio calculations. Materialia, 4, 529–539.

    DOI: 10.1016/j.mtla.2018.11.008

    @article{Ferreira_2018,
  doi = "10.1016/j.mtla.2018.11.008",
  year = "2018",
  volume = "4",
  pages = "529-539",
  author = "Ferreira, P.P. and Dorini, T.T. and Santos, F.B. and Machado, A.J.S. and Eleno, LTF",
  title = "Elastic anisotropy and thermal properties of extended linear chain compounds {MV}2Ga4 (M = Sc, Zr, Hf) from ab-initio calculations",
  journal = "Materialia",
  computeel = "Eleno, Ferreira, Dorini, Santos, Machado",
  addendum = "(3 citations)"
}
  21. Ferreira, P.P., Santos, F.B., Machado, A.J.S., Petrilli, H.M., & Eleno, L.T.F. (2018) Insights into the unconventional superconductivity in HfV2Ga4 and ScV2Ga4 from first-principles electronic-structure calculations. Phys. Rev. B, 98, 045126.

    DOI: 10.1103/physrevb.98.045126

    @article{Ferreira_2018a,
  author = "Ferreira, P. P. and Santos, F. B. and Machado, A. J. S. and Petrilli, H. M. and Eleno, LTF",
  title = "Insights into the unconventional superconductivity in {HfV}2Ga4 and {ScV}2Ga4 from first-principles electronic-structure calculations",
  journal = "Phys. Rev. B",
  year = "2018",
  volume = "98",
  pages = "045126",
  addendum = "(2 citations)",
  computeel = "Eleno, Ferreira, Machado, Santos",
  doi = "10.1103/physrevb.98.045126"
}
  22. Dorini, T.T. & Eleno, L.T.F. (2018) Thermodynamic reassessment of the Ni-In system using ab-initio data for end-member compound energies. Calphad, 62, 42–48.

    DOI: 10.1016/j.calphad.2018.05.004

    @article{Dorini_2018,
  doi = "10.1016/j.calphad.2018.05.004",
  year = "2018",
  volume = "62",
  pages = "42-48",
  author = "Dorini, Thiago T. and Eleno, LTF",
  title = "Thermodynamic reassessment of the Ni-In system using ab-initio data for end-member compound energies",
  journal = "Calphad",
  computeel = "Eleno, Dorini"
}
  23. Machado, A.J.S., Baptista, N.P., de Lima, B.S., Chaia, N., Grant, T.W., Corrêa, L.E., Renosto, S.T., Scaramussa, A.C., Jardim, R.F., Torikachvili, M.S., de Aguiar, J.A.O., Cigarroa, O.C., Eleno, L.T.F., & Fisk, Z. (2017) Evidence for topological behavior in superconducting Cu_xZrTe_2-y. Phys. Rev. B, 95, 144505.

    DOI: 10.1103/PhysRevB.95.144505

    @article{Machado2017,
  author = "Machado, A. J. S. and Baptista, N. P. and de Lima, B. S. and Chaia, N. and Grant, T. W. and Corrêa, L. E. and Renosto, S. T. and Scaramussa, A. C. and Jardim, R. F. and Torikachvili, M. S. and de Aguiar, J. A. O. and Cigarroa, O. C. and Eleno, LTF and Fisk, Z.",
  title = "Evidence for topological behavior in superconducting Cu$_x$ZrTe$_{2-y}$",
  journal = "Phys. Rev. B",
  year = "2017",
  volume = "95",
  pages = "144505",
  addendum = "(6 citations)",
  computeel = "Eleno, Machado, Correa",
  doi = "10.1103/PhysRevB.95.144505"
}

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