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Zhao, Zhao

Publications and source records attributed to Zhao, Zhao.

5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Pressure tuning the lattice and optical response of silver sulfide

Binary transition metal chalcogenides have attracted increasing attention for their unique structural and electronic properties. High pressure is a powerful tool for tuning the lattice and electronic structure of transition metal chalcogenides away from their pristine states. In this work, we systematically studied the in situ structural and optical behavior of silver sulfide (Ag{sub 2}S) under pressure by synchrotron X-ray diffraction and infrared spectroscopy measurements in a diamond anvil cell. Upon compression, Ag{sub 2}S undergoes structural symmetrization accompanied by a series of structural transitions while the crystallographic inequivalence of the two Ag sites is maintained. Electronically, pressure effectively tunes the ambient semiconducting Ag{sub 2}S into a metal at ∼22 GPa. Drude model analysis shows that the optical conductivity evolves significantly, reaching the highest value of 100 Ω{sup −1} cm{sup −1} at ∼40 GPa. Our results highlight the structural and electronic tunability of silver chalcogenides as a function of pressure and suggest the potential of Ag{sub 2}S as a platform for developing optical and opto-electronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Scintillation properties and electronic structure of the intrinsic and extrinsic mixed elpasolites Cs 2 Na R Br 3 I 3 ( R = La, Y)

Scintillators attract wide research interest for their distinct applications in radiation detection. Elpasolite halides are among the most promising scintillators due to their high structural symmetry and good scintillation performance. A better understanding of their underlying scintillation mechanism opens up possibilities in scintillator development. In this work, we employ a variety of experimental techniques to study the two mixed-anion elpasolites Cs 2 Na R Br 3 I 3 ( R = La, Y). The emission of intrinsic Cs 2 Na R Br 3 I 3 with a light yield ranging from 20 000 to 40 000 ph / MeV is dominant by self-trapped exciton emission. Partial substitution of R with Ce introduces a competing emission, the Ce 3+ 5d-to-4f radiative transition. Ab initio calculations are performed to investigate the electronic structures as well as the binding energies of polarons in Cs 2 Na R Br 6 . The calculated large self-trapped exciton binding energies are consistent with the observed high light yield due to self-trapped exciton (STE) emission. The unique electronic structure of halide elpasolites as calculated enhances the STE stability and the STE emission. The highly tunable scintillation properties of mixed-anion elpasolites underscore the role of their complex scintillation mechanism. Furthermore, our study provides guidance for the design of elpasolite scintillators with exceptional energy resolution and light yield desirable for applications.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Prediction of transmittance spectra for transparent composite electrodes with ultra-thin metal layers

Recent interest in indium-free transparent composite-electrodes (TCEs) has motivated theoretical and experimental efforts to better understand and enhance their electrical and optical properties. Various tools have been developed to calculate the optical transmittance of multilayer thin-film structures based on the transfer-matrix method. However, the factors that affect the accuracy of these calculations have not been investigated very much. In this study, two sets of TCEs, TiO{sub 2}/Au/TiO{sub 2} and TiO{sub 2}/Ag/TiO{sub 2}, were fabricated to study the factors that affect the accuracy of transmittance predictions. We found that the predicted transmittance can deviate significantly from measured transmittance for TCEs that have ultra-thin plasmonic metal layers. The ultrathin metal layer in the TCE is typically discontinuous. When light interacts with the metallic islands in this discontinuous layer, localized surface plasmons are generated. This causes extra light absorption, which then leads to the actual transmittance being lower than the predicted transmittance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗