Investigation of the interfacial properties of a c-BN/diamond [111] heterostructure for technological applications

• Grant number: 25/02032-4
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: September 01, 2025
• End date: August 31, 2026
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Eliezer Fernando de Oliveira
• Grantee: Gabriel Nogueira dos Santos
• Host Institution: Faculdade de Ciências (FC). Universidade Estadual Paulista (UNESP). Campus de Bauru. Bauru , SP, Brazil
• Associated research grant: 23/08122-0 - Computational Modeling and Simulation of Interfaces between Organic and/or Inorganic Materials, AP.R

Abstract

Heterostructures based on cubic boron nitride (c-BN) and diamond have been suggested as promising candidates for field-effect transistors, but further studies are required to confirm their potential. In this work, a theoretical study of the c-BN/diamond heterostructure, with interfaces oriented along the [111] direction, will be conducted using molecular dynamics (MD) simulations. The focus will be on investigating interfacial adhesion between the materials, the influence of interfacial defects, charge distribution, and the temperature dependence of these properties. Relevant data are expected to be obtained to assess the feasibility of such a heterostructure for technological applications. (AU)