Title: First-Principles Modeling of Yttrium Oxide and Oxyhydride: Defects, Electronic Properties, and Applications in Smart Materials
Research proposal No: 1.1.1.9/LZP/1/24/012
Duration: 01.03.2025.-29.02.2028.
Project Leader: Dr.phys. Aleksejs Gopejenko
Total budget: 184 140 EUR
ISSP UL budget: 9 207 EUR
Project description:
The aim of the project is to develop reliable first-principles computational models for rare earth oxides and oxyhydrides, focusing on YO and YHO. These materials have promising applications in energy-efficient technologies like smart windows. The study explores how structural composition and defects affect their properties, supporting the development of innovative functional materials.