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Free keywords:
ENERGY-LOSS SPECTROSCOPY; NEAR-EDGE STRUCTURE; PHOSPHORUS NITRIDE P3N5;
AB-INITIO; ELECTRONIC-STRUCTURE; SILICON-NITRIDE; ALPHA-P3N5; SPECTRAMaterials Science; Microscopy; EELS; TEM; DFT; inorganic compounds/condensed matter;
Abstract:
The recently discovered compound BeP2N4 that crystallizes in the phenakite-type structure has potential application as a high strength optoelectronic material. Therefore, it is important to analyze experimentally the electronic structure, which was done in the present work by monochromated electron energy-loss spectroscopy. The detection of Be is challenging due to its low atomic number and easy removal under electron bombardment. We were able to determine the bonding behavior and coordination of the individual atomic species including Be. This is evident from a good agreement between experimental electron energy-loss near-edge structures of the Be-K-, P-L-2,L-3-, and N-K-edges and density functional theory calculations.
