Face-centered cubic MoS2: a novel superconducting three-dimensional crystal more stable than layered T-MoS2

doi:10.1039/c8tc01360h

	Face-centered cubic MoS2: a novel superconducting three-dimensional crystal more stable than layered T-MoS2
	Wang BT(王保田); Liu, PF; Wang, BT; Liu PF(刘鹏飞)
刊名	JOURNAL OF MATERIALS CHEMISTRY C
	2018
卷号	6 期号:22 页码:6046-6051
ISSN号	2050-7526
DOI	10.1039/c8tc01360h
文献子类	Article
英文摘要	Beyond graphene, MoS2 has been intensively studied because of its unique properties. To date, several distinct isomers of MoS2 have been experimentally synthesized. These include semiconducting H-MoS2 and metal T-MoS2 as well as topological insulating T'-MoS2 but only in van der Waals layered materials. Here we authenticate a previously unknown phase of three-dimensional Kagome MoS2 in the face-centered cubic (FCC) space group Fd (3) over barm using first-principles calculations. We show that the FCC-MoS2 is a Bardeen-Cooper- Schrieffer superconductor with a relatively high transition temperature (B16.16 K) higher than that (similar to 12 K) of pristine 2Ha-MoS2 recently synthesized in experiments. The mechanism for superconducting in this crystal originates from the high s-p-d band hybridizations compatible with the cubic lattice symmetry in the vicinity of the Fermi level. Remarkably, FCC-MoS2 is B33.51 meV per atom lower and thermally more stable than the layered T-MoS2. Pure FCC-MoS2 may be prepared by the removal of Ga atoms fromthe single crystal GaMo4S8, thus holding great promise for superconducting device applications and stimulating further efforts on transition metal-based superconducting materials.
电子版国际标准刊号	2050-7534
WOS关键词	STRUCTURE PREDICTION ; HYDROGEN EVOLUTION ; TRANSITION-TEMPERATURE ; BILAYER MOS2 ; TRANSISTORS ; GRAPHENE
WOS研究方向	Materials Science ; Physics
语种	英语
WOS记录号	WOS:000434783200024
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/286020]
专题	高能物理研究所_东莞分部中国科学院高能物理研究所_中国散裂中子源
通讯作者	Wang BT(王保田)
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Wang BT,Liu, PF,Wang, BT,et al. Face-centered cubic MoS2: a novel superconducting three-dimensional crystal more stable than layered T-MoS2[J]. JOURNAL OF MATERIALS CHEMISTRY C,2018,6(22):6046-6051.
APA	王保田,Liu, PF,Wang, BT,&刘鹏飞.(2018).Face-centered cubic MoS2: a novel superconducting three-dimensional crystal more stable than layered T-MoS2.JOURNAL OF MATERIALS CHEMISTRY C,6(22),6046-6051.
MLA	王保田,et al."Face-centered cubic MoS2: a novel superconducting three-dimensional crystal more stable than layered T-MoS2".JOURNAL OF MATERIALS CHEMISTRY C 6.22(2018):6046-6051.