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DOE OSTI2020

Materials Data on CaCd(CO3)2 by Materials Project

CaCd(CO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ca–O bond lengths are 2.37 Å. Cd2+ is bonded to six equivalent O2- atoms to form CdO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Cd–O bond lengths are 2.35 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Cd2+, and one C4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CaCd by Materials Project

CdCa is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ca–Cd bond lengths are 3.34 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Map of the Zintl AM 2 Pn 2 Compounds: Influence of Chemistry on Stability and Electronic Structure

The AM 2 Pn 2 (A= Ca, Sr, Ba, Yb, Mg; M = Zn, Cd, Mg; and Pn = N, P, As, Sb, Bi) family of Zintl phases has been known as thermoelectric materials and has recently gained much attention for highly promising materials for solar absorbers in single-junction and tandem solar cells. In this paper, we will, from first principles, explore the entire family of AM 2 Pn 2 compounds in terms of their ground-state structure, thermodynamic stability, and electronic structure. We also perform photoluminescence spectroscopy on bulk powder and thin film samples to verify our results, including the first measurements of the band gaps of SrCd 2 P 2 and CaCd 2 P 2 . The AM 2 Pn 2 compounds exhibit broad stability, are mostly isostructural to CaAl 2 Si 2 (P$\overline{3}$m1), and cover a wide range of band gaps from 0 to beyond 3 eV. This could make them useful for a variety of purposes, for which we propose several candidates, such as CaZn 2 N 2 for tandem top cell solar absorbers and SrCd 2 Sb 2 and CaZn 2 Sb 2 for infrared detectors. By examining the band structures of the AM 2 Pn 2 , we find that Mg 3 Sb 2 has the most promise as a thermoelectric material due to several off-Γ valence band pockets, which are unique to it among the compositions studied here.

14 SOLAR ENERGY↗

NASA NTRS1997

Micro-Optic Color Separation Technology for Efficient Projection Displays

Phase 1 of this project focused on development of an overall optical concept which incorporated a single liquid crystal spatial light modulator. The system achieved full color by utilizing an echelon grating, which diffracted the incident light into three orders with different color spectra, in combination with a microlens array, which spatially separated RGB bands and directed the light of the appropriate wavelength to the appropriate color dot. Preliminary echelon grating designs were provided by MIT/LL and reviewed by Rockwell. Additional Rockwell activities included the Identification of microlens designs, light sources (ILC), and projection optics to fulfill the overall design requirements. An Internal subcontract was established with Rockwell's Collins Avionics and Communications Division (CACD) which specified the liquid crystal SLM (Sharp Model No. LQ 46EO2) and built the projection display baseline projector. Full Color projected video images were produced and shown at the 1995 HDS meeting in Washington. Analysis of the luminance performance of the projector and detailed parameter trade studies helped define the dependence of overall display efficiency on lamp collimation, and indicated that a lamp with very small arc dimension is required for the optical concept to be viable.

Gunning, W. J.↗