High-Pressure NiAs-Type Modification of FeN

被引：48

作者：

Clark, William P. ^{[1
]}

Steinberg, Simon ^{[2
]}

Dronskowski, Richard ^{[2
]}

McCammon, Catherine ^{[3
]}

Kupenko, Ilya ^{[4
]}

Bykov, Maxim ^{[3
]}

Dubrovinsky, Leonid ^{[3
]}

Akselrud, Lev G. ^{[5
]}

Schwarz, Ulrich ^{[5
]}

Niewa, Rainer ^{[1
]}

机构：

[1] Univ Stuttgart, Inst Anorgan Chem, Pfaffenwaldring 55, D-70569 Stuttgart, Germany

[2] Rhein Westfal TH Aachen, Inst Anorgan Chem, Aachen, Germany

[3] Univ Bayreuth, Bayer Geoinst, Bayreuth, Germany

[4] ESRF, Grenoble, France

[5] Max Planck Inst Chem Phys Fester Stoffe, Dresden, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2017年 / 56卷 / 25期

关键词：

high-pressure chemistry; Mossbauer spectroscopy; nitrides; structure elucidation; NACL-TYPE FEN; PLANE-WAVE; MOSSBAUER-SPECTROSCOPY; ELECTRONIC-STRUCTURE; MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURE; IRON NITRIDES; TEMPERATURE; PERNITRIDE; STATE;

D O I：

10.1002/anie.201702440

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The combination of laser-heated diamond anvil cells and synchrotron Mossbauer source spectroscopy were used to investigate high-temperature high-pressure chemical reactions of iron and iron nitride Fe2N 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.

引用

页码：7302 / 7306

页数：5

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