Enhanced Ferromagnetism in a Mn3C12N12H12 Sheet

doi:10.1002/cphc.201402713

CORC > 北京大学 > 工学院

	Enhanced Ferromagnetism in a Mn3C12N12H12 Sheet
	Liu, Junyi ; Sun, Qiang
刊名	chemphyschem
	2015
关键词	density functional calculations magnetic properties manganese nanostructures transition metals HALF-METALLICITY MAGNETIC SEMICONDUCTORS AB-INITIO MONOLAYER GRAPHENE NANOSHEET
DOI	10.1002/cphc.201402713
英文摘要	Based on a recent experimental study on the Ni3C12S12 sheet [J. Am. Chem. Soc. 2013, 135, 2462] and a theoretical study on the Mn3C12S12 sheet [Nanoscale 2013, 5, 10404], by using density functional theory combined with a thermodynamic model, it is shown that when sulfur atoms are replaced by NH groups the resulting Mn3C12N12H12 sheet can exhibit strong ferromagnetism with a Curie temperature of 450 K. The enhanced ferromagnetism is due to two main factors: the reduced lattice constant and nitrogen is more effective in mediating magnetic couplings through p-d exchange interactions. Furthermore, it is also confirmed that the Mn3C12N12H12 sheet is kinetically and thermally stable, and displays half metallicity.; http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000349964000016&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=8e1609b174ce4e31116a60747a720701 ; Chemistry, Physical; Physics, Atomic, Molecular & Chemical; SCI(E); PubMed; 4; ARTICLE; sunqiang@pku.edu.cn; 3; 614-620; 16
语种	英语
内容类型	期刊论文
源URL	[http://ir.pku.edu.cn/handle/20.500.11897/341740]
专题	工学院
推荐引用方式 GB/T 7714	Liu, Junyi,Sun, Qiang. Enhanced Ferromagnetism in a Mn3C12N12H12 Sheet[J]. chemphyschem,2015.
APA	Liu, Junyi,&Sun, Qiang.(2015).Enhanced Ferromagnetism in a Mn3C12N12H12 Sheet.chemphyschem.
MLA	Liu, Junyi,et al."Enhanced Ferromagnetism in a Mn3C12N12H12 Sheet".chemphyschem (2015).