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Open AccessArticle

Synthesis of Manganese Mononitride with Tetragonal Structure under Pressure

Center for High Pressure Science and Technology Advanced Research, Beijing 100190, China
Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, China
University of Science and Technology of China, Hefei 230026, China
State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China
Hawai’i Institute of Geophysics and Planetology, School of Ocean and Earth Science and Technology, University of Hawai’i at Manoa, Honolulu, HI 96822, USA
Authors to whom correspondence should be addressed.
Crystals 2019, 9(10), 511;
Received: 14 August 2019 / Revised: 26 September 2019 / Accepted: 27 September 2019 / Published: 30 September 2019
(This article belongs to the Special Issue High Pressure Synthesis in Crystalline Materials)
The exploration of the vast phase space of transition metal nitrides is critical for discovering novel materials and potential technological applications. Manganese mononitride with a tetragonal structure (space group I4/mmm) was synthesized in a laser-heating diamond anvil cell, which could be quenched to ambient pressure. The bulk modulus of 173 GPa was measured using in situ high-pressure diffraction, and the axial compressibility shows that, under pressure, the a direction is much more compressible than the c direction in tetragonal MnN. DFT results with correction of the on-site repulsion (GGA + U) confirm that tetragonal MnN is energetically stable and antiferromagnetic. This study highlights the need to include on-site repulsion to understand 3d metal nitrides. View Full-Text
Keywords: transition metal nitrides; MnN; high pressure laser heating; density functional theory transition metal nitrides; MnN; high pressure laser heating; density functional theory
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Huang, D.; Niu, C.; Yan, B.; Gao, B.; Wu, L.; Zhang, D.; Wang, X.; Gou, H. Synthesis of Manganese Mononitride with Tetragonal Structure under Pressure. Crystals 2019, 9, 511.

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