SUPR
Computational Synthetic Growth and Properties of Nanostructured Materials
Dnr:

NAISS 2025/23-159

Type:

NAISS Small Storage

Principal Investigator:

Gueorgui Gueorguiev

Affiliation:

Linköpings universitet

Start Date:

2025-04-01

End Date:

2026-04-01

Primary Classification:

10304: Condensed Matter Physics

Allocation

Abstract

I will be further developing my original approach - the Synthetic Growth Concept (SGC) for predictive simulations of inherently nanostructured materials in two main research directions: 1) radical upscaling of modelling systems by adapting the Phase Field Model (PFM) to semiconductors. Model systems will include group III nitrides and bismides, both binary and ternary. We will be developing parametrizations for PFM by DFT and testing the results against experimental data; 2) developing reliable and realistically synthesizable 2D topological insulators and 2D materials in confinement. We will strive to apply the PFM by DFT approach even here, especially in what concerns the 2D materials in confinement. Materials of choice will be binary group III bismides such as InBi.