Multiscale mechanics of indentation-induced cracking, phase transformation and residual stress in CVD 4H-SiC epilayers

Abstract

Reliable 4H-SiC for high-power electronics and quantum photonics requires a quantitative understanding of how contact loading drives microstructure evolution and load-bearing/fracture response in epitaxial layers. Here, we integrate instrumented indentation, confocal micro-Raman residual-stress metrology, atomistic molecular dynamics (MD), and high-resolution TEM (HRTEM) to establish processing–microstructure–mechanical property linkages in chemical vapor deposition (CVD) 4H-SiC epilayers. At peak depths of 600–1050 nm, indentation promotes Palmqvist-type radial cracks and the apparent indentation toughness K_IC increases from 0.87 ± 0.08 to 1.20 ± 0.05 MPa m^1/2 with depth, consistent with plastic-zone growth and dislocation shielding. E₂(TO) Raman mapping quantifies an increase in residual stress from ∼302 ± 60 to ∼665 ± 72 MPa. It also shows that the incremental broadening of the FWHM becomes less pronounced beyond ∼750 nm, suggesting that the near-surface disorder indicator within the Raman probe volume approaches a quasi-steady level. MD captures a 4H → 3C phase transformation, amorphization beneath indenter ridges, and dislocation nucleation/growth, which HRTEM directly corroborates. The combined measurement–model–validation closed loop yields a depth-dependent relationship between residual-stress accumulation and apparent toughness, converting them into an actionable processing window: constraining penetration depth below ∼0.75 μm limits residual stress and near-surface disorder. These results provide physics-based guidance for machining and packaging of 4H-SiC epilayers and illustrate a transferable framework for brittle, anisotropic ceramics.