Edge-controlled half-metallic ferromagnetism and direct-gap semiconductivity in ZrS2 nanoribbons

doi:10.1039/c7ra05362b

HFCAS OpenIR > 中科院固体物理研究所

	Edge-controlled half-metallic ferromagnetism and direct-gap semiconductivity in ZrS2 nanoribbons
	Lv, H. Y.1; Lu, W. J.1 ; Li, J. Y.1; Xiao, R. C.1; Wei, M. J.1; Tong, P.1 ; Zhu, X. B.1; Sun, Y. P.1,2,3
	2017
发表期刊	RSC ADVANCES
摘要	The electronic and magnetic properties of ZrS2 nanoribbons (NRs) are investigated based on first principles calculations. It is found that the ZrS2 NRs with armchair edges are all indirect band gap semiconductors without magnetism, and the band gap exhibits odd-even oscillation behavior with the increase of the ribbon width. For the NRs with zigzag edges, those with both edges S-terminated are nonmagnetic direct band gap semiconductors, and the gap decreases monotonically as a function of the ribbon width. However, the NRs with one edge S-terminated and the other edge Zr-terminated are ferromagnetic half-metals, while those with both edges Zr-terminated tend to be ferromagnetic half-metals when the width N >= 9. The magnetism of both systems mainly originates from the unsaturated edge Zr atoms. Depending on the different edge configurations and ribbon widths, the ZrS2 NRs exhibit versatile electronic and magnetic properties, making them promising candidates for applications in electronics and spintronics.
文章类型	Article
WOS标题词	Science & Technology ; Physical Sciences
DOI	10.1039/c7ra05362b
关键词[WOS]	ZIGZAG GRAPHENE NANORIBBONS ; MOS2 NANORIBBONS ; ELECTRIC-FIELD ; NANOSHEETS ; STRAIN
收录类别	SCI
语种	英语
项目资助者	National Key Research and Development Program(2016YFA0300404) ; National Key Research and Development Program(2016YFA0300404) ; National Key Research and Development Program(2016YFA0300404) ; National Key Research and Development Program(2016YFA0300404) ; National Key Research and Development Program(2016YFA0300404) ; National Key Research and Development Program(2016YFA0300404) ; National Key Research and Development Program(2016YFA0300404) ; National Key Research and Development Program(2016YFA0300404) ; National Natural Science Foundation of China(11404340 ; National Natural Science Foundation of China(11404340 ; National Natural Science Foundation of China(11404340 ; National Natural Science Foundation of China(11404340 ; National Natural Science Foundation of China(11404340 ; National Natural Science Foundation of China(11404340 ; National Natural Science Foundation of China(11404340 ; National Natural Science Foundation of China(11404340 ; Key Research Program of Frontier Sciences of CAS(QYZDB-SSW-SLH015) ; Key Research Program of Frontier Sciences of CAS(QYZDB-SSW-SLH015) ; Key Research Program of Frontier Sciences of CAS(QYZDB-SSW-SLH015) ; Key Research Program of Frontier Sciences of CAS(QYZDB-SSW-SLH015) ; Key Research Program of Frontier Sciences of CAS(QYZDB-SSW-SLH015) ; Key Research Program of Frontier Sciences of CAS(QYZDB-SSW-SLH015) ; Key Research Program of Frontier Sciences of CAS(QYZDB-SSW-SLH015) ; Key Research Program of Frontier Sciences of CAS(QYZDB-SSW-SLH015) ; Hefei Science Center of CAS(2016HSC-IU011) ; Hefei Science Center of CAS(2016HSC-IU011) ; Hefei Science Center of CAS(2016HSC-IU011) ; Hefei Science Center of CAS(2016HSC-IU011) ; Hefei Science Center of CAS(2016HSC-IU011) ; Hefei Science Center of CAS(2016HSC-IU011) ; Hefei Science Center of CAS(2016HSC-IU011) ; Hefei Science Center of CAS(2016HSC-IU011) ; Anhui Provincial Natural Science Foundation(1708085QA18) ; Anhui Provincial Natural Science Foundation(1708085QA18) ; Anhui Provincial Natural Science Foundation(1708085QA18) ; Anhui Provincial Natural Science Foundation(1708085QA18) ; Anhui Provincial Natural Science Foundation(1708085QA18) ; Anhui Provincial Natural Science Foundation(1708085QA18) ; Anhui Provincial Natural Science Foundation(1708085QA18) ; Anhui Provincial Natural Science Foundation(1708085QA18) ; 11674326 ; 11674326 ; 11674326 ; 11674326 ; 11674326 ; 11674326 ; 11674326 ; 11674326 ; U1232139) ; U1232139) ; U1232139) ; U1232139) ; U1232139) ; U1232139) ; U1232139) ; U1232139)
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000404864100043
引用统计	被引频次：7[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/33438
专题	中科院固体物理研究所
作者单位	1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China 2.Chinese Acad Sci, High Magnet Field Lab, Hefei 230031, Peoples R China 3.Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China
推荐引用方式 GB/T 7714	Lv, H. Y.,Lu, W. J.,Li, J. Y.,et al. Edge-controlled half-metallic ferromagnetism and direct-gap semiconductivity in ZrS2 nanoribbons[J]. RSC ADVANCES,2017,7(53):33408-33412.
APA	Lv, H. Y..,Lu, W. J..,Li, J. Y..,Xiao, R. C..,Wei, M. J..,...&Sun, Y. P..(2017).Edge-controlled half-metallic ferromagnetism and direct-gap semiconductivity in ZrS2 nanoribbons.RSC ADVANCES,7(53),33408-33412.
MLA	Lv, H. Y.,et al."Edge-controlled half-metallic ferromagnetism and direct-gap semiconductivity in ZrS2 nanoribbons".RSC ADVANCES 7.53(2017):33408-33412.