气候变化领域集成服务门户(CCPortal): Realistic flat-band model based on degenerate p-orbitals in two-dimensional ionic materials

CCPortal

DOI	10.1016/j.scib.2021.01.006
	Realistic flat-band model based on degenerate p-orbitals in two-dimensional ionic materials
	Zeng J.; Lu M.; Liu H.; Jiang H.; Xie X.C.
发表日期	2021
ISSN	20959273
起始页码	765
结束页码	770
卷号	66 期号:8
英文摘要	Though several theoretical models have been proposed to design electronic flat-bands, the definite experimental realization in two-dimensional atomic crystal is still lacking. Here we propose a novel and realistic flat-band model based on threefold degenerate p-orbitals in two-dimensional ionic materials. Our theoretical analysis and first-principles calculations show that the proposed flat-band can be realized in 1T layered materials of alkali-metal chalogenides and metal-carbon group compounds. Some of the former are theoretically predicted to be stable as layered materials (e.g., K2S), and some of the latter have been experimentally fabricated in previous works (e.g., Gd2CCl2). More interestingly, the flat-band is partially filled in the heterostructure of a K2S monolayer and graphene layers. The spin polarized nearly flat-band can be realized in the ferromagnetic state of a Gd2CCl2 monolayer, which has been fabricated in experiments. Our theoretical model together with the material predictions provide a realistic platform for the study of flat-bands and related exotic quantum phases. © 2021 Science China Press
关键词	1T structure Degenerate orbitals Flat-band Material realization Partially filled
英文关键词	Alkali metals; Calculations; Chlorine compounds; Monolayers; Atomic crystals; Experimental realizations; Ferromagnetic state; First-principles calculation; Graphene layers; Layered material; Material predictions; Theoretical modeling; Gadolinium compounds
语种	英语
来源期刊	Science Bulletin
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/207657
作者单位	International Center for Quantum Materials, School of Physics, Peking University, Beijing, 100871, China; Beijing Academy of Quantum Information Sciences, Beijing, 100871, China; Center for Advanced Quantum Studies, Department of Physics, Beijing Normal University, Beijing, 100875, China; School of Physical Science and Technology, Soochow University, Suzhou, 215006, China; Beijing Academy of Quantum Information Sciences, Beijing, 100193, China; CAS Center for Excellence in Topological Quantum Computation, University of Chinese Academy of Sciences, Beijing, 100871, China
推荐引用方式 GB/T 7714	Zeng J.,Lu M.,Liu H.,et al. Realistic flat-band model based on degenerate p-orbitals in two-dimensional ionic materials[J],2021,66(8).
APA	Zeng J.,Lu M.,Liu H.,Jiang H.,&Xie X.C..(2021).Realistic flat-band model based on degenerate p-orbitals in two-dimensional ionic materials.Science Bulletin,66(8).
MLA	Zeng J.,et al."Realistic flat-band model based on degenerate p-orbitals in two-dimensional ionic materials".Science Bulletin 66.8(2021).