Phonon-mediated superconductivity in two-dimensional hydrogenated phosphorus carbide: HPC3

doi:10.1039/d2cp00997h

HFCAS OpenIR

	Phonon-mediated superconductivity in two-dimensional hydrogenated phosphorus carbide: HPC3
	Li, Ya-Ping 1; Yang, Liu 1; Liu, Hao-Dong 1; Jiao, Na 1; Ni, Mei-Yan 1; Hao, Ning 2; Lu, Hong-Yan 1; Zhang, Ping 1,3
	2022-04-20
发表期刊	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN	1463-9076
通讯作者	Lu, Hong-Yan(hylu@qfnu.edu.cn) ; Zhang, Ping(pzhang2012@qq.com)
摘要	In recent years, three-dimensional (3D) high-temperature superconductors at ultrahigh pressure have been reported, typical examples are the polyhydrides H3S, LaH10, YH9, etc. To find high-temperature two-dimensional (2D) superconductors at atmospheric pressure is another research hotspot. Here, we investigated the possible superconductivity in a hydrogenated monolayer phosphorus carbide based on first-principles calculations. The results reveal that monolayer PC3 transforms from a semiconductor to a metal after hydrogenation. Interestingly, the C-pi-bonding band contributes most to the states at the Fermi level. Based on the electron-phonon coupling mechanism, it is found that the electron-phonon coupling constant of HPC3 is 0.95, which mainly originates from the coupling of C-pi electrons with the in-plane vibration modes of C and H. The calculated critical temperature T-c is 31.0 K, which is higher than those in most 2D superconductors. By further applying a biaxial tensile strain of 3%, the T-c can be boosted to 57.3 K, exceeding the McMillan limit. Thus, hydrogenation and strain are effective ways for increasing the superconducting T-c of 2D materials.
DOI	10.1039/d2cp00997h
关键词[WOS]	TRANSITION-TEMPERATURE ; LANTHANUM ; GRAPHENE ; HYDRIDE
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[12074213] ; National Natural Science Foundation of China[11574108] ; National Natural Science Foundation of China[12104253] ; National Natural Science Foundation of China[12022413] ; National Natural Science Foundation of China[11674331] ; Major Basic Program of Natural Science Foundation of Shandong Province[ZR2021ZD01] ; Project of Introduction and Cultivation for Young Innovative Talents in Colleges and Universities of Shandong Province ; 'Strategic Priority Research Program (B)' of the Chinese Academy of Sciences[XDB33030100] ; '100 Talents Project' of the Chinese Academy of Sciences ; Collaborative Innovation Program of Hefei Science Center, CAS[2020HSCCIP002] ; CASHIPS Director's Fund[BJPY2019B03]
项目资助者	National Natural Science Foundation of China ; Major Basic Program of Natural Science Foundation of Shandong Province ; Project of Introduction and Cultivation for Young Innovative Talents in Colleges and Universities of Shandong Province ; 'Strategic Priority Research Program (B)' of the Chinese Academy of Sciences ; '100 Talents Project' of the Chinese Academy of Sciences ; Collaborative Innovation Program of Hefei Science Center, CAS ; CASHIPS Director's Fund
WOS研究方向	Chemistry ; Physics
WOS类目	Chemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000779732300001
出版者	ROYAL SOC CHEMISTRY
引用统计	被引频次：18[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/334002/128662
专题	中国科学院合肥物质科学研究院
通讯作者	Lu, Hong-Yan; Zhang, Ping
作者单位	1.Qufu Normal Univ, Sch Phys & Phys Engn, Qufu 273165, Shandong, Peoples R China 2.Chinese Acad Sci, Anhui Prov Key Lab Condensed Matter Phys Extreme, High Magnet Field Lab, HFIPS, Hefei 230031, Peoples R China 3.Inst Appl Phys & Computat Math, Beijing 100088, Peoples R China
推荐引用方式 GB/T 7714	Li, Ya-Ping,Yang, Liu,Liu, Hao-Dong,et al. Phonon-mediated superconductivity in two-dimensional hydrogenated phosphorus carbide: HPC3[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2022,24.
APA	Li, Ya-Ping.,Yang, Liu.,Liu, Hao-Dong.,Jiao, Na.,Ni, Mei-Yan.,...&Zhang, Ping.(2022).Phonon-mediated superconductivity in two-dimensional hydrogenated phosphorus carbide: HPC3.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,24.
MLA	Li, Ya-Ping,et al."Phonon-mediated superconductivity in two-dimensional hydrogenated phosphorus carbide: HPC3".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 24(2022).