A quantitative map of lattice compatibility in metal nitride heteroepitaxy

Abstract

Lattice-matched heteroepitaxy of metal nitrides enables the integration of distinct material properties into multifunctional metal nitride devices. This work systematically maps lattice matching across more than 50 binary and ternary metal nitride compounds with wurtzite and rock salt crystal structures. A polynomial trend in atomic spacing of metal nitrides is observed as a function of atomic number, providing valuable insight for identifying optimal lattice-matched heterostructures. Through comprehensive analysis, we study potential electrode materials and integrated functional layers for GaN-based, AlN-based, and InN-based device architectures. Additionally, we propose high-potential heterostructures spanning superconductor–semiconductor, metallic–ferroelectric, and ferroelectric–ferroelectric heteroepitaxies. The lattice matching of the metal nitrides framework presented enables rational design of next-generation devices for electronics, photonics, acoustics, and quantum technologies.