This file Cote_et_al_2022_ReadMe.txt was updated on 2022-06-02 by Bryan M Cote ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset: Supporting Data for Surface Structure Dependent Circular Dichroism in Single and Double Gyroid Metamaterials 2. Author Information: Principal Investigator Contact Information Name: Vivian E. Ferry Institution: University of Minnesota Address: Department of Chemical Engineering and Materials Science, 421 Washington Ave SE, Minneapolis, Minnesota 55455 Email: veferry@umn.edu ORCID: https://orcid.org/0000-0002-9676-6056 Associate or Co-investigator Contact information Name: Christopher J. Ellison Institution: University of Minnesota Address: Department of Chemical Engineering and Materials Science, 421 Washington Ave SE, Minneapolis, Minnesota 55455 Email: cellison@umn.edu ORCID: https://orcid.org/0000-0002-0393-2941 Associate or Co-investigator Contact Information Name: Bryan M. Cote Institution: University of Minnesota Address: Department of Chemical Engineering and Materials Science, 421 Washington Ave SE, Minneapolis, Minnesota 55455 Email: cote0058@umn.edu Associate or Co-investigator Contact Information Name: William R. Lenart Institution: University of Minnesota Address: Department of Chemical Engineering and Materials Science, 421 Washington Ave SE, Minneapolis, Minnesota 55455 Email: wlenart@umn.edu 3. Date of data collection range: (YYYY-MM-DD) 2021-07-27 - 2022-03-27 4. Geographic location of data collection (where was data collected?): Simulations were conducted on the Ferry Group Workstation, located in 421 Washington Ave SE, as well as on The Minnesota Supercomputer Institute. Both a part of the University of Minnesota, Twin-Cities Campus. 5. Information about funding sources that supported the collection of the data: This research was supported by a grant from the National Science Foundation through MRSEC award DMR-1420013. -------------------------- SHARING/ACCESS INFORMATION -------------------------- Recommended citation for the data: William, Lenart R; Ellison, Christopher J; Ferry, Vivian E; Cote, Bryan M. (2022). Supporting data for Surface Structure Dependent Circular Dichroism in Single and Double Gyroid Metamaterials. Retrieved from the Data Repository for the University of Minnesota, https://doi.org/10.13020/fp2j-xr45. 1. Licenses/restrictions placed on the data: CC0 1.0 Universal 2. Links to publications that cite or use the data: https://doi.org/10.1002/adom.202200363 3. Links to other publicly accessible locations of the data: N/A 4. Links/relationships to ancillary data sets: N/A 5. Was data derived from another source? No --------------------- DATA & FILE OVERVIEW --------------------- 1. File List Files are organized by the gyroid's orientation. All 39 .mat require MATLAB to open. The data was collected using Lumerical FDTD solutions Release 2021 R2 and processed on MATLAB R2021a. The .mat files follow the same naming convention. Example: 220109_SingleGyroid_a65_Ag_100_m0pt9_4cells_tau0_RTA.mat Jan-09-2022 simulation date Single gyroid 65 nm periodicity Silver infill 100 oriented m = +0.9 (positive enantiomer, ~20 vol% infill) 4 unit cells thick The gyroid's top surface was terminated at tau_{100} = 0 A. Files that end in _RTA contain: Right (RCP) and Left-handed circularly polarized (LCP) reflection (R), transmission (T), and absorption (A) data. The absorption data was also used to calculate the circular dichroism (CD) and Kuhn's dissymmetry factor (g). The datasets have dimensions [length(Wvlgth), length(tau)]. B. Files that end in _Fields contain: E2_LCP, E2_RCP: Intensity enhancements of incident circularly polarized light in the near-field of the gyroid metamaterial (|E|^2/|E_0|^2). The datasets have dimensions [length(x), length(y), length(z), length(Wvlgth_EM)]. E2_LCP_int, E2_RCP_int: Integrated intensity enhancements down the depth of the gyroid metamaterial (E2_LCP_int(x,lambda) = int(E2_LCP(x,y,z,lambda))dA/int(1)dA). The datasets have dimensions [length(x), length(Wvlgth_EM)]. idx: Spatially resolved complex refractive index in the near-field of the gyroid metamaterial. The dataset has dimensions [length(x), length(y), length(z)]. C. File 210924_SingleGyroid_a65_Ag_110_m0pt9_4sqrt2cells_EM_tau0pt30_Pabs.mat contains: Pabs_LCP, Pabs_RCP: Lumerical datasets of the spatially resolved absorption in the near-field of the gyroid metamaterial. Pabs_LCP_reshape, Pabs_RCP_reshape: Spatially resolved absorption in the near-field of the gyroid metamaterial. The datasets have dimensions [length(x), length(y), length(z)]. Pabs_LCP_int, Pabs_RCP_int: Integrated absorption down the depth of the gyroid metamaterial. The datasets have dimensions [length(x)]. Pabs_LCP_cumulative, Pabs_RCP_cumulative: Cumulative integrated absorption down the depth of the gyroid metamaterial. The datasets have dimensions [length(x)]. 2. Relationship between files: Each folder contains the 3D models (.stl files) of the gyroids used in the Lumerical FDTD simulations. The simulation results were then processed and saved as .mat files. 3. Additional related data collected that was not included in the current data package: Lumerical FDTD simulation files. 4. Are there multiple versions of the dataset? N -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: The FDTD simulations in this report were performed using commercial software provided by Lumerical FDTD solutions (Release: 2021 R2). The gyroid structures were added to the FDTD software by importing a gyroid 3D model as defined by Equation 4 in the main text. Coordinate rotations were applied to the gyroid model to align the desired crystallographic orientation along the +x direction prior to import. A circularly polarized light source, aligned to the +x direction, was added to the simulation by combining two linear polarized light sources with polarization and phase shifts of ±90°. The top surface of the gyroid was defined as the surface closest to this circularly polarized source. A uniform 1 nm meshing was applied over the entire gyroid metamaterial and extended a/sqrt(h^2+k^2+l^2) on either side of the gyroid. Periodic boundary conditions were used on boundaries parallel to the light propagation while absorbing PML boundaries were used parallel to the termination plane and perpendicular to light propagation. The PML boundaries consisted of 12 layers of the predefined steep angle profile within Lumerical’s software. The absorbance of the gyroid metamaterials under each incident polarization was calculated using the gyroid’s reflectance and transmittance spectra: A=1–R-T. The optical response to unpolarized light was calculated by averaging of the left- and right-handed circularly polarized light simulation results: <|E|^2>=(|E_{LCP}|^2+|E_{LCP}|^2)/2. The gyroid network structures are defined using the following analytical equation for the gyroid’s surface: sin(2*pi*x/a)cos(2*pi*y/a)+sin(2*pi*y/a)cos(2*pi*z/a)+sin(2*pi*z/a)cos(2*pi*x/a) = m where a is the periodicity of the gyroid, which is set to 65 nm in this study, and m is a parameter such that 0<|m|