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Ab initio study of superconducting and topological systems

Grant number: 20/08258-0
Support Opportunities:Scholarships in Brazil - Doctorate
Effective date (Start): October 01, 2020
Effective date (End): October 01, 2025
Field of knowledge:Physical Sciences and Mathematics - Physics - Condensed Matter Physics
Principal Investigator:Luiz Tadeu Fernandes Eleno
Grantee:Pedro Nunes Ferreira
Host Institution: Escola de Engenharia de Lorena (EEL). Universidade de São Paulo (USP). Lorena , SP, Brazil
Associated scholarship(s):21/13441-1 - Ab initio evolutionary crystal structure prediction of transition metal tellurides under pressure, BE.EP.DR

Abstract

With the growing interest of the scientific and technological community in the discovery of novel topological materials, especially metallic systems, first-principles electronic-structure methods and effective models established themselves as the central pillar, providing a theoretical basis for predicting new systems and the understanding of the fundamental electronic state, thus enabling a direct comparison between theory and experiment. The present PhD project aims to investigate novel superconducting and topological semimetals (Weyl/Dirac) with unconventional phases of scientific and technological interest. For this, the most recent theoretical-computational methods based on the Density Functional Theory (DFT) and semi-empirical tight-binding models will be used. Structural, electronic, vibrational and topological properties of transition metal dicalcogenides systems, of composition ZrTe2, NiTe2 and PtTe2, will be investigated, with intercalating elements in the van der Waals gap in function of composition and pressure; and new possible topological materials, still unexplored, according to the Theory of Topological Quantum Chemistry. The work will be carried out in collaboration with experimental groups, developing and characterizing such materials. In this way, we intend to describe the physical mechanisms and exotic quantum states emerging from these systems, and propose, a posteriori, efficient ways to manipulate such states. (AU)

Matéria(s) publicada(s) na Revista Pesquisa FAPESP sobre a bolsa::
Presuntos superconductores a temperatura ambiente no convencen a los críticos 
Supposed room-temperature superconductors fail to convince critics 
News published in Agência FAPESP Newsletter about the scholarship:
Articles published in other media outlets (0 total):
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Scientific publications (8)
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
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.; et al. Electron-phonon superconductivity in C-doped topological nodal-line semimetal Zr5Pt3: a muon spin rotation and relaxation (mu SR) study. JOURNAL OF PHYSICS-CONDENSED MATTER, v. 34, n. 3, . (19/14359-7, 19/05005-7, 18/08819-2, 13/07296-2, 20/08258-0)
BHATTACHARYYA, A.; LEES, M. R.; PANDA, K.; FERREIRA, P. P.; DORINI, T. T.; GAUDRY, EMILIE; ELENO, L. T. F.; ANAND, V. K.; SANNIGRAHI, J.; BISWAS, P. K.; et al. Nodeless time-reversal symmetry breaking in the centrosymmetric superconductor Sc(5)Co(4)Si(10 )probed by muon-spin spectroscopy. PHYSICAL REVIEW MATERIALS, v. 6, n. 6, p. 10-pg., . (20/08258-0, 19/05005-7)
CORREA, LUCAS; FERREIRA, PEDRO S.; DE FARIA, LEANDRO R.; DORINI, THIAGO T.; LUZ, MARIO S. DA; FISK, ZACHARY; TORIKACHVILI, MILTON S.; ELENO, LUIZ T. F.; MACHADO, ANTONIO J. S.. Evidence for multiband superconductivity and charge density waves in Ni-doped ZrTe2. Journal of Alloys and Compounds, v. 907, p. 9-pg., . (19/14359-7, 18/08819-2, 18/10835-6, 19/05005-7, 20/08258-0)
PEREIRA DOS SANTOS, JULIO CESAR; ARAUJO PINTO DA SILVA, ANTONIO AUGUSTO; FERREIRA, PEDRO PIRES; DORINI, THIAGO TREVIZAM; DE BARROS, DENIS FELIPE; DE ABREU, DANILO ALENCAR; FERNANDES ELENO, LUIZ TADEU; NUNES, CARLOS ANGELO; COELHO, GILBERTO CARVALHO. Thermodynamic modeling of the Al-Nb-V system. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, v. 74, . (20/08258-0, 17/14853-6, 18/13966-4)
FERREIRA, PEDRO PIRES; CARVALHO, FELIPE MORENO; ARIZA-ECHEVERRI, EDWAN ANDERSON; DELFINO, PEDRO MEIRELLES; BAURI, LUIZ FELIPE; FERREIRA, ANDREI MARX; BRAGA, ANA PAOLA; ELENO, LUIZ TADEU FERNANDES; GOLDENSTEIN, HELIO; TSCHIPTSCHIN, ANDRE PAULO. Synergism between B and Nb Improves Fire Resistance in Microalloyed Steels. METALS, v. 13, n. 1, p. 8-pg., . (19/05005-7, 20/08258-0)
DE FARIA, L. R.; FERREIRA, P. P.; CORREA, L. E.; ELENO, L. T. F.; TORIKACHVILI, M. S.; MACHADO, A. J. S.. Possible multiband superconductivity in the quaternary carbide YRe2SiC. SUPERCONDUCTOR SCIENCE & TECHNOLOGY, v. 34, n. 6, . (16/11774-5, 19/05005-7, 19/14359-7, 19/17878-5, 20/08258-0)
DORINI, THIAGO T.; DE FREITAS, BRUNO X.; FERREIRA, PEDRO P.; CHAIA, NABIL; SUZUKI, PAULO A.; JOUBERT, JEAN-MARC; NUNES, CARLOS A.; COELHO, GILBERTO C.; ELENO, LUIZ T. F.. 2 phase site occupancies in the Cr-Si-B system: a combined synchroton-XRD/first-principles stud. SCRIPTA MATERIALIA, v. 199, . (19/05005-7, 18/10835-6, 20/08258-0)
FERREIRA, P. P.; MANESCO, A. L. R.; DORINI, T. T.; CORREA, L. E.; WEBER, G.; MACHADO, A. J. S.; ELENO, L. T. F.. Strain engineering the topological type-II Dirac semimetal NiTe2. PHYSICAL REVIEW B, v. 103, n. 12, p. 13-pg., . (19/14359-7, 16/10167-8, 19/05005-7, 20/08258-0, 19/07082-9, 18/08819-2, 18/10835-6)

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