Tuning piezo- and ferroelectric properties of III-nitrides by alloying with metal nitrides – crystallization from N2- and NH3-based solutions and gas phases guided by atomistic simulations (PiezoTUNE)
Third Party Funds Group - Sub project
Acronym: PiezoTUNE
Start date : 15.04.2026
End date : 14.04.2029
Overall project details
Overall project
SPP 2477: Nitrides4Future – Neuartige Materialien und Konzepte für Bauelemente
Project details
Scientific Abstract
Scientific Abstract
The overarching aim of the present project aims at the tailor-made syntheses and characterization of metal nitrides with enhanced piezoelectric properties. For this, in-depth understanding of III1-xMexN and MeN crystal growth from experiments and atomistic simulations will be provided - both for ammonia- and nitrogen-based gas phases and solutions. The handshaking of molecular simulations and syntheses experiments shall firstly elaborate a profound rationalization of the fundamental mechanisms and aspects of the ferroelectric properties of the resulting products. Based on this atomic-scale understanding we will move towards an increasing rational design of crystal growth to achieve wurtzite III1-xMexN (III=Ga,Al; Me=Cr, B, Y, …) and rocksalt MeN (Me= Y, Sc, …) single crystals of high quality. This involves seed-based growth of multi-layer systems (such as heterostructures in devices), analyses and controlling of defect arrangements and the investigation of elastic and piezoelectric properties offering numerous cooperations with project groups funded by Nitrides4Future priority program.
