Randall S. Hay's research while affiliated with UES, Inc. and other places
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Publications (9)
A model for the refractive index dispersion of garnets was developed by extension of a model for garnet refractive indices at 589 nm wavelength. The cation and anion polarizabilities in garnets were determined as a function of wavelength from dispersion data, and fit to Sellmeier relations. Dispersion predictions were compared to measurements of re...
The validity of prediction methods for garnet lattice parameters was tested, and a modified model with best fit to a lattice parameter database with over 1000 garnet compositions was developed. The lattice parameter predictions were used in Shannon and Fischer's model to predict garnet refractive indices. The predictions were compared to refractive...
A series of LiCa2Mg2As3xV3−3xO12 garnet powders (x = 0, 0.25, 0.50, 0.667, 0.75, and 1) were synthesized using solid‐state reaction from mixed precursor powders. A complete solid‐solution series was found between the endmembers. Energy‐dispersive spectroscopy confirmed the homogeneity of the synthesized garnets. The compositions reversibly melted b...
LHPG method is used to grow high optical quality single crystal fibers. For LHPG, polycrystalline ceramics can play important roles as feedstocks and cladding on the single crystal fibers.
High‐throughput computation, based on density functional theory (HT‐DFT), is used to predict the bounds for optical transparency, from the ultraviolet to the infrared, for materials in the pyrochlore family. The HT‐DFT approach adopted here uses an initial screening from Materials‐Project database, with millions of calculated properties. Band gaps...
Citations
... c is the electron overlap factor, with a minimum of 0 for no electron overlap (Lorentz-Lorentz equation) and a maximum of 4π/3 for strong electron overlap (Drude equation). 33,34 Values of c ranging from 2.19 to 3.69 have been determined for various oxides. 34 c = 2.26 was determined for silicate minerals and suggested to be appropriate for most minerals. ...
... Charge state calculations were performed for each defect configuration to identify their relative stability and charge transition states. Charge neutrality is maintained using a jellium model, and formation energies are correct for spurious interactions using the method in Ref. 37 as implemented in sxdefectalign. 38 Neutral, −1, and −2 charge defect calculations were performed for the O S , O La , S Ca , and S La defects. ...