Symmetry breaking in condensed matter: from wavefunctions to crystal structures

• Grant number: 23/03493-0
• Support Opportunities: Scholarships in Brazil - Doctorate (Direct)
• Start date: September 01, 2023
• End date: August 31, 2028
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Gustavo Martini Dalpian
• Grantee: Daniel de Martini Rivera Ferreira
• Host Institution: Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Associated research grant: 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties, AP.TEM

Abstract

This project proposes a theoretical approach to investigate symmetry breaking in quantum materials, with a focus on strongly correlated systems and the search for signatures of superconductivity in crystalline compounds. The project involves a comparative analysis of different computational methods, including Density Functional Theory (DFT), DFT+U, DFT+DMFT, and Symmetry Breaking (SB), applied to materials such as complex oxides that were experimentally evaluated. We also aim to apply symmetry breaking to crystal structures and wavefunctions, with materials such as EuB$_6$ and H$_3$LiIr$_2$O$_6$ as examples. Additionally, we intent to investigate interpretations and mechanisms of symmetry breaking and strong correlations, using toy models and detailed analysis of DFT results, together with materials informatics tools. The project emphasizes the synergy between theoretical and experimental results in understanding quantum materials. (AU)