Synthesis of Manganese Mononitride with Tetragonal Structure under Pressure
Dajian Huang,
Caoping Niu,
Bingmin Yan,
Bo Gao,
Lailei Wu,
Dongzhou Zhang,
Xianlong Wang,
Huiyang Gou
Affiliations
Dajian Huang
Center for High Pressure Science and Technology Advanced Research, Beijing 100190, China
Caoping Niu
Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, China
Bingmin Yan
Center for High Pressure Science and Technology Advanced Research, Beijing 100190, China
Bo Gao
Center for High Pressure Science and Technology Advanced Research, Beijing 100190, China
Lailei Wu
State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, China
Dongzhou Zhang
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
Xianlong Wang
Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, China
Huiyang Gou
Center for High Pressure Science and Technology Advanced Research, Beijing 100190, China
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.
