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Magnetic origin of phase stability in cubic gamma-MoN
Zheng X; Wang HL; Yu XH; Feng JS; Shen X; Zhang SJ; Yang R(杨荣); Zhou XF; Xu Y; Yu RC; Xiang HJ; Hu ZP; Jin CQ; Zhang RF; Wei SH; Han JT; Zhao YS; Li H; Wang SM

Among transition-metal nitrides, the mononitride gamma-MoN with a rock-salt structure has drawn particular attention because it has been predicted to possess excellent mechanical and electronic properties, especially the high superconducting temperature around 30 K. However, synthesis of bulk gamma-MoNx with the nitrogen concentration, x, more than 0.5 is still challenging, leading to contradictions on its phase stability and properties. In this work, we formulated a high-pressure synthesis reaction for the formation of single-crystal gamma-MoNx with a remarkably high nitrogen concentration value of x approximate to 0.67. This nitride possesses a high asymptotic hardness of similar to 24 GPa, which is so far the second hardest among metal nitrides. Impressively, the expected superconductivity is absent in the as-synthesized product. We further performed density functional theory calculations to clarify the structural stability and the absence of superconductivity in stoichiometric gamma-MoN. We find that the ground state of gamma-MoN is theoretically explored to be a Mott insulator with an antiferromagnetic phase, while a paramagnetic configuration is adopted at the ambient conditions. Such magnetic properties would explain the structural stability and the absence of superconductivity in the as-synthesized gamma-MoNx with a high nitrogen concentration. Published by AIP Publishing.

Indexed BySCI ; EI
WOS IDWOS:000451739700014
WOS Research AreaPhysics, Applied
WOS SubjectPhysics
Funding OrganizationNational Key R&D Program of China [2016YFA0401503] ; National Science Foundation of China [11575288, 51471018, 21773005, 51402350] ; Shenzhen Peacock Plan [KQTD2016053019134356] ; Guangdong Innova-tive & Entrepreneurial Research Team Program [2016ZT06C279] ; Shenzhen Development and Reform Commission Foundation for Novel Nano-Material Sciences ; BUCT Fund for Disciplines Construction [XK1702]
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Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Affiliation1.Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China
3.Univ Chinese Acad Sci, Sch Phys Sci, Beijing 100049, Peoples R China
4.Beijing Univ Chem Technol, Beijing Adv Innovat Ctr Soft Matter Sci & Engn, Beijing 100029, Peoples R China
5.Nankai Univ, Dept Phys, Tianjin 300072, Peoples R China
6.Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China
7.Chinese Acad Sci, Inst Mech, Beijing 100190, Peoples R China
8.Huazhong Univ Sci & Technol, Sch Mat Sci & Engn, Wuhan 430074, Hubei, Peoples R China
9.Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China
10.Beijing Computat Sci Res Ctr, Beijing 100193, Peoples R China
11.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China
Recommended Citation
GB/T 7714
Zheng X,Wang HL,Yu XH,et al. Magnetic origin of phase stability in cubic gamma-MoN[J]. APPLIED PHYSICS LETTERS,2018,113(22):Ar-221901.
APA Zheng X.,Wang HL.,Yu XH.,Feng JS.,Shen X.,...&Wang SM.(2018).Magnetic origin of phase stability in cubic gamma-MoN.APPLIED PHYSICS LETTERS,113(22),Ar-221901.
MLA Zheng X,et al."Magnetic origin of phase stability in cubic gamma-MoN".APPLIED PHYSICS LETTERS 113.22(2018):Ar-221901.
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