Magnetic origin of phase stability in cubic gamma-MoN

doi:10.1063/1.5048540

IMECH-IR > 非线性力学国家重点实验室

	Magnetic origin of phase stability in cubic gamma-MoN
	Zheng X ; Wang Huili ; Yu Xiaohui ; Feng Junsheng ; Shen Xi ; Zhang Sijia ; Yang R(杨荣); Zhou Xuefeng ; Xu Yue ; Yu Richeng ; Xiang Hongjun ; Hu Zhenpeng ; Jin Changqing ; Zhang Ruifeng ; Wei Suhuai ; Han Jiantao ; Zhao Yusheng ; Li Hui ; Wang Shanmin
发表期刊	APPLIED PHYSICS LETTERS
	2018-11-26
卷号	113 期号:22 页码:Ar-221901
ISSN	0003-6951
摘要	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.
DOI	10.1063/1.5048540
URL	查看原文
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000451739700014
关键词[WOS]	HIGH-PRESSURE SYNTHESIS ; CRYSTAL-STRUCTURE ; PHONON-SPECTRA ; HARDNESS ; FILMS ; SUPERCONDUCTIVITY ; TRANSITION ; NITRIDE ; INSTABILITIES ; CATALYST
WOS研究方向	Physics, Applied
WOS类目	Physics
项目资助者	National 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]
论文分区	二类/Q1
力学所作者排名	5+
引用统计
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/78127
专题	非线性力学国家重点实验室
作者单位	1.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
推荐引用方式 GB/T 7714	Zheng X,Wang Huili,Yu Xiaohui,et al. Magnetic origin of phase stability in cubic gamma-MoN[J]. APPLIED PHYSICS LETTERS,2018,113(22):Ar-221901.
APA	Zheng X.,Wang Huili.,Yu Xiaohui.,Feng Junsheng.,Shen Xi.,...&Wang Shanmin.(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.