Synergistic Control of Crystal Planes and Defects in CVD Single-Crystal Diamond: A Review of Growth Mechanisms and Frontier Applications

Single-crystal diamond (SCD) demonstrates immense potential in high-power electronics, quantum information, and precision sensing due to its exceptional hardness, high thermal conductivity, wide bandgap, and superior chemical stability. Focusing on the crystallographic dependence of chemical vapor deposition (CVD) synthesis, this review systematically examines the growth mechanisms, defect characteristics, and application progress of typical low-index planes, specifically (100), (111), and (110). The (100) plane, leveraging stable step-flow growth modes and a mature process window, has established itself as the primary orientation for large-size, high-quality homoepitaxy. Conversely, while the (111) plane faces challenges regarding growth rate and the suppression of twins and stacking faults, it offers unique advantages for high-efficiency doping and the preferential alignment of quantum color centers, such as NV and SiV centers. The (110) plane, characterized by its anisotropic surface structure and high effective growth rate, shows significant potential for textured film preparation, N-type doping epitaxy, and quantum sensing based on surface termination control. Furthermore, this article outlines progress in high-index planes (e.g., (113)) and hexagonal diamonds (HDs), highlighting their possibilities for rapid thick-film deposition, directional color center regulation, and novel superhard/quantum material design. Finally, from an integrated “Material-Defect-Device” perspective, we identify current critical scientific and engineering challenges, providing a roadmap for the synergistic optimization of crystal plane selection, defect engineering, and device structure.