Design Principles for Noncentrosymmetric Materials

Noncentrosymmetric (NCS) materials feature an exciting array of functionalities such as nonlinear optical (NLO) responses and topological spin textures (skyrmions). While NLO materials and magnetic skyrmions display two different sets of physical properties, their design strategies are deeply connected in terms of atomic-scale precision, structural customization, and electronic tunability. Despite impressive progress in studying these systems separately, a joint road map for navigating the chemical principles for NCS materials remains elusive. This review unites two subtopics of NCS systems, NLO materials and magnetic skyrmions, offering a multifaceted narrative of how to translate the often-abstract fundamentals to the targeted functionalities while inviting innovative approaches from the community. We outline the design principles central to the desired properties by exemplifying relevant examples in the field. We supplement materials chemistry with pertinent electronic structures to demonstrate the power of the fundamentals to create systems integration relevant to foreseeable societal impacts in frequency-doubling instrumentation and spin-based electronics.