Epitaxial engineering of flat silver fluoride cuprate analogs

doi:10.1103/PhysRevMaterials.4.084405

	Epitaxial engineering of flat silver fluoride cuprate analogs
	Grzelak, Adam 5; Su, Haibin 4; Yang, Xiaoping 3; Kurzydlowski, Dominik 2,5; Lorenzana, Jose 1; Grochala, Wojciech 5
刊名	PHYSICAL REVIEW MATERIALS
	2020-08-11
卷号	4
ISSN号	2475-9953
DOI	10.1103/PhysRevMaterials.4.084405
通讯作者	Grzelak, Adam(a.grzelak@cent.uw.edu.pl)
英文摘要	As-grown AgF2 has an electronic structure remarkably similar to insulating cuprates, but it is extremely electronegative, which makes it hard to handle and dope. Furthermore, buckling of layers reduces magnetic interactions and enhances unwanted self-trapping lattice effects. We argue that epitaxial engineering can solve all these problems. By using a high-throughput approach and first-principle computations, we find a set of candidate substrates which can sustain the chemical aggressiveness of AgF2 and at the same time have good lattice parameter matching for heteroepitaxy, enhancing AgF2 magnetic and transport properties, and opening the possibility of field-effect carrier injection to achieve a unique generation of high-Tc superconductors. Assuming magnetic mechanism and extrapolating from cuprates we predict that the superconducting critical temperature of a single layer can reach 195 K.
资助项目	Polish National Science Center (NCN) through the Maestro project[2017/26/A/ST5/00570] ; Interdisciplinary Centre for Mathematical and Computational Modelling (ICM), University of Warsaw, under the ADVANCE++ grant[GA7619] ; National Key Research and Development Program of China[2018YFA0305700] ; National Key Research and Development Program of China[2017YFA0403600] ; National Natural Science Foundation of China (NSFC)[11674325] ; High Magnetic Field Laboratory of Anhui Province ; Italian MIUR[PRIN 2017Z8TS5B] ; Regione Lazio through the SIMAP project[L. R. 13/08]
WOS关键词	INITIO MOLECULAR-DYNAMICS ; TOTAL-ENERGY CALCULATIONS ; ELECTRONIC-STRUCTURE ; SUPERCONDUCTING PROPERTIES ; INSULATOR-TRANSITION ; SUPEREXCHANGE ; EXCITATIONS ; PREDICTION ; PARAMETERS ; CRYSTAL
WOS研究方向	Materials Science
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000560064600002
资助机构	Polish National Science Center (NCN) through the Maestro project ; Interdisciplinary Centre for Mathematical and Computational Modelling (ICM), University of Warsaw, under the ADVANCE++ grant ; National Key Research and Development Program of China ; National Natural Science Foundation of China (NSFC) ; High Magnetic Field Laboratory of Anhui Province ; Italian MIUR ; Regione Lazio through the SIMAP project
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/70758]
专题	中国科学院合肥物质科学研究院
通讯作者	Grzelak, Adam
作者单位	1.Univ Roma La Sapienza, Dipartimento Fis, CNR, Inst Complex Syst ISC, I-00185 Rome, Italy 2.Cardinal Stefan Wyszynski Univ Warsaw, Fac Math & Nat Sci, PL-01938 Warsaw, Poland 3.Chinese Acad Sci, Anhui Prov Key Lab Condensed Matter Phys Extreme, High Magnet Field Lab, Hefei 230031, Peoples R China 4.Hong Kong Univ Sci & Technol, Dept Chem, Hong Kong, Peoples R China 5.Univ Warsaw, Ctr New Technol, PL-02089 Warsaw, Poland
推荐引用方式 GB/T 7714	Grzelak, Adam,Su, Haibin,Yang, Xiaoping,et al. Epitaxial engineering of flat silver fluoride cuprate analogs[J]. PHYSICAL REVIEW MATERIALS,2020,4.
APA	Grzelak, Adam,Su, Haibin,Yang, Xiaoping,Kurzydlowski, Dominik,Lorenzana, Jose,&Grochala, Wojciech.(2020).Epitaxial engineering of flat silver fluoride cuprate analogs.PHYSICAL REVIEW MATERIALS,4.
MLA	Grzelak, Adam,et al."Epitaxial engineering of flat silver fluoride cuprate analogs".PHYSICAL REVIEW MATERIALS 4(2020).