Electronic, Optical Properties and Chemical Bonding in Six Novel 1111-Like Chalcogenide Fluorides AMChF (A: Sr, Ba; M: Cu, Ag; and Ch: S, Se, Te) from First Principles Calculations.
semanticscholar（2013）
摘要
The compounds SrAgSF, SrAgSeF, SrAgTeF, BaAgSF, BaAgSeF, and SrCuTeF are characterized by first principles LAPW band structure calculations.
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