Incommensurability and negative thermal expansion of single layer hexagonal boron nitride

Abstract

The emerging field of straintronics, i.e., the control and utilization of the strain state of 2D-materials, is of great importance for their technological development, specifically in view of their future incorporation into van der Waals heterostructures. To gain fundamental insight into structural peculiarities of two-dimensional systems, single layer hexagonal boron nitride (hBN) grown on Ir(111) by chemical vapor deposition was used as a prototypical model system: High-resolution reciprocal space mapping reveals the incommensurate nature of the material system by measuring the hBN in plane lattice parameter with high precision, facilitated by the moiré magnification effect in electron diffraction. In a growth temperature (Tg) regime of 700–1150°C an average lattice parameter of 2.496 ± 0.006 Å was found. Eventually, careful disentanglement of the hBN’s and substrate’s behavior for rising Tg allowed the determination of a negative thermal expansion coefficient of αhBN = −2.4 ± 1.2 × 10-6 K−1 for free-standing hBN.