Visualization of atomistic optical waves in crystals

Abstract

The refractive index of a matter is foundational to quantify the light-matter interaction of the medium. However, the classical description of refractive index is based on macroscopic homogenization and is limited to describing the local optical response of materials. A complete quantum description of light-matter interaction should consider nonlocality and multiple-scattering of optical responses at the atomistic lattice level. Recently, the deep microscopic optical band structure was introduced as a quantum generalization of refractive index of a medium. This quantum description unveils multiple optical eigenmodes in crystalline solids and hidden microscopic optical waves at the lattice level. In this work, we unravel the microscopic optical waves in silicon carbide. We predict and visualize hidden microscopic optical eigenwaves, which can be nonplanar and inhomogeneous even near the optical limit. Also, the nonlocal macroscopic dielectric constant of the crystal is analyzed using the microscopic optical waves as the basis. Our work establishes a general framework for picoscale electrodynamics applicable to other materials including two-dimensional materials.