The electronic structure and optical properties of ABP2O7 (A=Na, Li) double phosphates
Source abstract
Abstract
Abstract Partial densities of states and reflection spectra of NaAlP 2 O 7 , KAlP 2 O 7 and LiInP 2 O 7 double phosphate crystals are calculated by the full-potential linear-augmented-plane-wave (FLAPW) method. Experimental reflection spectra of KAlP 2 O 7 , CsAlP 2 O 7 and NaInP 2 O 7 are measured in the 4–20 eV energy range. The values of band gaps, E g , are found from a comparison of experiment and calculations to be 6.0 eV for NaAlP 2 O 7 and KAlP 2 O 7 , and 4.6 eV for LiInP 2 O 7 .
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Research context
OpenAlex topics: Luminescence Properties of Advanced Materials · Solid-state spectroscopy and crystallography · Crystal Structures and Properties
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References (12)
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