Investigation of carrier scattering rates in low-dimensional Janus materials through first-principles calculation

• Grant number: 25/03349-1
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate
• Start date: November 01, 2025
• End date: April 29, 2026
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Alex Antonelli
• Grantee: Mateus Corradini Lopes
• Supervisor: Feliciano Giustino
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil
• Institution abroad: University of Texas at Austin (UT), United States
• Associated to the scholarship: 23/17765-1 - Two-Dimensional TMDs thermoelectric transport within ab initio approach, BP.DR

Abstract

This proposal is part of the doctoral research project titled "Two-Dimensional TMDs thermoelectric transport within ab initio approach" which aims to study thermoelectric transport properties in materials based on transition metal dichalcogenide (TMD), focusing on Janus materials, through first-principles computational techniques, with emphasis on the use of codes such as Electron-Phonon Wannier (EPW), developed by the EPW code collaboration of which Prof. Feliciano Giustino is one of the main researchers. In this project, in collaboration with Prof. Giustino and his group, we intend to investigate the carrier scattering processes that occur in Janus materials, highlighting electron-phonon scattering, which has been shown to play a fundamental role in the transport properties of a variety of low-dimensional materials, and also to prepare the basis for the calculation of thermoelectric transport, this being an important step towards obtaining a doctorate. (AU)