| Grant number: | 23/12336-5 |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| Start date: | November 01, 2023 |
| End date: | July 31, 2025 |
| Field of knowledge: | Physical Sciences and Mathematics - Physics - Condensed Matter Physics |
| Principal Investigator: | Adalberto Fazzio |
| Grantee: | Augusto de Lelis Araújo |
| Host Institution: | Centro Nacional de Pesquisa em Energia e Materiais (CNPEM). Ministério da Ciência, Tecnologia e Inovação (Brasil). Campinas , SP, Brazil |
Abstract In this project, we will conduct a systematic and detailed study of the influence that the presence of vacancies, disorder, and amorphization have on the structural, topological, and transport properties in materials with non-trivial topology. Through an ab-initio approach based on density functional theory, in conjunction with the construction of Tight-binding models, we will address two distinct studies, namely:(I) Material engineering will be carried out based on the M2NX3 compound family, which inherits the crystalline structure of Jacutingaite, a prominent two-dimensional topological material that occurs naturally in Brazil. We will explore the effect that the introduction, type, and concentration of vacancies, as well as the possibility of amorphization, have on the structural, electronic, topological, and transport properties of this class of materials. We will pay special attention to the study of the topological character, investigating the robustness of trivial phases as a function of the introduced disorder degree, and conversely, verifying if the structural disorder is capable of inducing non-trivial phases in originally trivial systems.(II) Investigation of the presence, nature, and topological properties of a set of disordered materials, composed by forming high-entropy alloys obtained through the combination of half-Heusler-type materials with different topological classifications (trivial and non-trivial). These are multifunctional systems with a high number of different compounds, so the addition of a topological phase is advantageous in terms of designing devices that combine their distinct properties. | |
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