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354 results on '"Cardoso, Claudia"'

2. Anesthetic efficiency of essential oil of Zingiber officinale for Astyanax lacustris: induction time, recovery time, ventilatory frequency, and gill histopathology

Author

Silva, Brenda Aparecida de Oliveira, Ferreira, Andre Lima, Acunha, Rubia Mara Gomes, Almeida, Rômullo Guilherme dos Santos, dos Santos, Jussara Garrido, Fernandes, Carlos Eurico, Chaves, Francisco Célio Maia, Chagas, Edsandra Campos, Cardoso, Claudia Andrea Lima, de Campos, Cristiane Meldau, and Costa, Deliane Cristina

Published
2024
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8. Efficient GW calculations via the interpolation of the screened interaction in momentum and frequency space: The case of graphene

Author

Guandalini, Alberto, Leon, Dario A., D'Amico, Pino, Cardoso, Claudia, Ferretti, Andrea, Rontani, Massimo, and Varsano, Daniele

Subjects
Condensed Matter - Materials Science
Abstract

The GW self-energy may become computationally challenging to evaluate because of frequency and momentum convolutions. These difficulties were recently addressed by the development of the multipole approximation (MPA) and the W-av methods: MPA accurately approximates full-frequency response functions using a small number of poles, while W-av improves the convergence with respect to the k-point sampling in 2D materials. In this work we (i) present a theoretical scheme to combine them, and (ii) apply the newly developed approach to the paradigmatic case of graphene. Our findings show an excellent agreement of the calculated QP band structure with angle resolved photoemission spectroscopy (ARPES) data. Furthermore, the computational efficiency of MPA and W-av allows us to explore the logarithmic renormalization of the Dirac cone. To this aim, we develop an analytical model, derived from a Dirac Hamiltonian, that we parameterize using ab-initio data. The comparison of the models obtained with PPA and MPA results highlights an important role of the dynamical screening in the cone renormalization., Comment: A. Guandalini and D. A. Leon contributed equally to this work

Published
2023

10. Efficient full frequency GW for metals using a multipole approach for the dielectric screening

Author

Leon, Dario A., Ferretti, Andrea, Varsano, Daniele, Molinari, Elisa, and Cardoso, Claudia

Subjects
Condensed Matter - Materials Science
Abstract

The properties of metallic systems with important and structured excitations at low energies, such as Cu, are challenging to describe with simple models like the plasmon pole approximation (PPA), and more accurate and sometimes prohibitive full frequency approaches are usually required. In this paper we propose a numerical approach to $GW$ calculations on metals that takes into account the frequency dependence of the screening via the multipole approximation (MPA), an accurate and efficient alternative to current full-frequency methods that was recently developed and validated for semiconductors and overcomes several limitations of PPA. We now demonstrate that MPA can be successfully extended to metallic systems by optimizing the frequency sampling for this class of materials and introducing a simple method to include the $\mathbf{q}\to 0$ limit of the intra-band contributions. The good agreement between MPA and full frequency results for the calculations of quasi-particle energies, polarizability, self-energy and spectral functions in different metallic systems confirms the accuracy and computational efficiency of the method. Finally, we discuss the physical interpretation of the MPA poles through a comparison with experimental electron energy loss spectra for Cu., Comment: 21 pages

Published
2023
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12. Graphene decoupling through oxygen intercalation on Gr/Co and Gr/Co/Ir interfaces

Author

Leon, Dario A., Ferretti, Andrea, Varsano, Daniele, Molinari, Elisa, and Cardoso, Claudia

Subjects
Condensed Matter - Materials Science
Abstract

We perform a density functional theory study of the effects of oxygen adsorption on the structural and electronic properties of Gr/Co(0001) and Gr/Co/Ir(111) interfaces. In both interfaces, the graphene-Co distance increases with increasing O concentration. The oxygen intercalation effectively decreases the electronic interaction, preventing the hybridization of graphene states with Co $d$-orbitals, hence (partly) restoring the typical Dirac cone of pristine graphene. In the case of graphene/Co 1ML/Ir(111), which presents a moir\'e pattern, the interplay between the O distribution and the continuous change of the graphene-Co registry can be used to tune graphene corrugation and electronic properties. The computed electronic properties are in very good agreement with previously reported angle resolved photoemission spectroscopy and photoemission electron microscopy measurements for Gr/Co(0001)., Comment: 15 pages, 15 figures

Published
2022
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13. Black Phosphorus n-type doping by Cu: a microscopic surface investigation

Author

Kumar, Abhishek, Telesio, Francesca, Prezzi, Deborah, Cardoso, Claudia, Catellani, Alessandra, Forti, Stiven, Coletti, Camilla, Serrano-Ruiz, Manuel, Peruzzini, Maurizio, Beltram, Fabio, and Heun, Stefan

Subjects
Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics
Abstract

We study surface charge transfer doping of exfoliated black phosphorus (bP) flakes by copper using scanning tunneling microscopy (STM) and spectroscopy (STS) at room temperature. The tunneling spectra reveal a gap in correspondence of Cu islands, which is attributed to Coulomb blockade phenomena. Moreover, using line spectroscopic measurements across small copper islands, we exploit the potential of the local investigation, showing that the n-type doping effect of copper on bP is short-ranged. These experimental results are substantiated by first-principles simulations, which quantify the role of cluster size for an effective n-type doping of bP and explain the Coulomb blockade by an electronic decoupling of the topmost bP layer from the underlying layers driven by the copper cluster. Our results provide novel understanding, difficult to retrieve by transport measurements, of the doping of bP by copper, which appears promising for the implementation of ultra-sharp p-n junctions in bP.

Published
2022
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18. Frequency dependence in GW made simple using a multi-pole approximation

Author

Leon, Dario A., Cardoso, Claudia, Chiarotti, Tommaso, Varsano, Daniele, Molinari, Elisa, and Ferretti, Andrea

Subjects
Condensed Matter - Materials Science
Abstract

In the $GW$ approximation, the screened interaction $W$ is a non-local and dynamical potential that usually has a complex frequency dependence. A full description of such dependence is possible but often computationally demanding. For this reason, it is still common practice to approximate $W(\omega)$ using a plasmon pole (PP) model. Such approach, however, may deliver an accuracy limited by its simplistic description of the frequency dependence of the polarizability, i.e. of $W$. In this work we explore a multi-pole approach (MPA) and develop an effective representation of the frequency dependence of $W$. We show that an appropriate sampling of the polarizability in the frequency complex plane and a multi-pole interpolation can lead to a level of accuracy comparable with full-frequency methods at much lower computational cost. Moreover, both accuracy and cost are controllable by the number of poles used in MPA. Eventually we validate the MPA approach in selected prototype systems, showing that full-frequency quality results can be obtained with a limited number of poles., Comment: 7 figures, 18 pages + 2 supplementary pages

Published
2021
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28. Characterization and subchronic oral toxicity of Pentaclethra macroloba (pracaxi) oil in Rattus norvegicus (lin. Wistar)

Author

Eberhart, Bruna de Souza, Komiyama, Claudia Marie, Burbarelli, Maria Fernanda de Castro, Castilho Heiss, Vivian Aparecida Rios, Garcia, Rodrigo Garófallo, Borges, Rafael, Felix, Gisele Aparecida, Cardoso, Claudia Andrea Lima, Braz, Paulo Henrique, Teodoro, Cássia Regina, Serpa, Felipe Cardoso, and Gandra, Erika Rosendo de Sena

Published
2023
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35. Anti-hyperglycemic potential and chemical constituents of Aristolochia triangularis Cham. leaves − A medicinal species native to Brazilian forests

Author

de Araújo, Flávio Henrique Souza, Nogueira, Cláudio Rodrigo, Trichez, Virginia Demarchi Kappel, da Rosa Guterres, Zaira, da Silva Pinto, Luciano, Velter, Suzana Queiroz, Mantovani Ferreira, Guilherme Antonio, Machado, Marcos Batista, de Oliveira Gomes Neves, Kidney, Vieira, Maria do Carmo, Lima Cardoso, Claudia Andrea, Heredia-Vieira, Silvia Cristina, de Oliveira, Kelly Mari Pires, Piva, Raul Cremonize, and Oesterreich, Silvia Aparecida

Published
2023
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37. Geographical variation in the chemical composition, anti-inflammatory activity of the essential oil, micromorphology and histochemistry of Schinus terebinthifolia Raddi

Author

Marangoni, Janaine Alberto, da Costa Pinto, Jannaina Velasques, Kassuya, Candida Aparecida Leite, de Oliveira Junior, Pedro Cruz, dos Santos, Sidney Mariano, Cardoso, Claudia Andrea Lima, Silva, Rosilda Mara Mussury Franco, Espíndola da Silva, Marcia, Machado, Camila Dias, Manfron, Jane, and Formagio, Anelise Samara Nazari

Published
2023
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43. Casearia sylvestris var. lingua (Càmbess.) Eichler leaves aqueous extract improves colon inflammation through mucogenic, antioxidant and anti-inflammatory actions in TNBS- induced IBD rats

Author

Arunachalam, Karuppusamy, primary, Matchado, Monica Steffi, additional, Damazo, Amilcar Sabino, additional, Cardoso, Claudia Andrea Lima, additional, Castro, Thiago Luis Aguayo de, additional, Baranoski, Adrivanio, additional, Neves, Silvia Cordeiro das, additional, Martins, Domingos Tabajara de Oliveira, additional, Nascimento, Valter Aragão do, additional, and Oliveira, Rodrigo Juliano, additional

Published
2024
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44. Chemical composition of biodiesel produced in situ with Salvinia molesta DS Mitchell (Salviniaceae) by ethylic and methylic route

Author

Correia, João Paulo de Aquino, primary, Leite, Aricely Aparecida Silva, additional, Weber, Luciana Vincenzi, additional, Castro, Thiago Luis Aguayo de, additional, Lima, Dinorah Machado Vaz de, additional, Silva, Carmem Cícera Maria, additional, Cardoso, Claudia Andrea Lima, additional, and Konradt-Moraes, Leila Cristina, additional

Published
2024
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48. Exploration of essential oil from Psychotria poeppigiana as an anti-hyperalgesic and anti-acetylcholinesterase agent: Chemical composition, biological activity and molecular docking

Author

Formagio, Anelise Samara Nazari, Vilegas, Wagner, Volobuff, Carla Roberta Ferreira, kassuya, Candida Aparecida Leite, Cardoso, Claudia Andrea Lima, Pereira, Zefa Valdevina, Silva, Rosilda Mara Mussury Franco, dos Santos Yamazaki, Diego Alberto, de Freitas Gauze, Gisele, Manfron, Jane, and Marangoni, Janaine Alberto

Published
2022
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