High‐Pressure NiAs‐Type Modification of FeN. Issue 25 (18th May 2017)

• Record Type: Journal Article
• Authors: Clark, William P.; Steinberg, Simon; Dronskowski, Richard; McCammon, Catherine; Kupenko, Ilya; Bykov, Maxim; Dubrovinsky, Leonid; Akselrud, Lev G.; Schwarz, Ulrich; Niewa, Rainer
• Is Part Of: Angewandte Chemie international edition. Volume 56:Issue 25(2017)
• Page Start: 7302
• Page End: 7306
• Publication Date: 2017-05-18
• Subjects: high-pressure chemistry -- Mössbauer spectroscopy -- nitrides -- structure elucidation; Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201702440
• Languages: English
• ISSNs: 1433-7851

Abstract

Abstract: The combination of laser‐heated diamond anvil cells and synchrotron Mössbauer source spectroscopy were used to investigate high‐temperature high‐pressure chemical reactions of iron and iron nitride Fe2 N with nitrogen. At pressures between 10 and 45 GPa, significant magnetic hyperfine splitting indicated compound formation after annealing at 1300 K. Subsequent in situ X‐ray diffraction reveals a new modification of FeN with NiAs‐type crystal structure, as also rationalized by first‐principles total‐energy and chemical‐bonding studies. Abstract : Pressing for change : The reaction of 57 Fe and ζ‐ 57 Fe2 N with nitrogen, above 1000 K and up to 45 GPa, is investigated using laser‐heated diamond anvil cells and synchrotron Mössbauer source spectroscopy. After annealing at pressures larger than 10 GPa a new phase is observed, which shows pronounced magnetic hyperfine splitting. X‐ray diffraction measurements using synchrotron radiation are consistent with NiAs‐type FeN remaining present down to atmospheric pressure.