Epitaxial engineering of flat silver fluoride cuprate analogs
文献类型：期刊论文
| 作者 | Grzelak, Adam2; Su, Haibin3; Yang, Xiaoping4; Kurzydlowski, Dominik2,5; Lorenzana, Jose1; Grochala, Wojciech2 |
| 刊名 | PHYSICAL REVIEW MATERIALS
 |
| 出版日期 | 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. |
| WOS关键词 | INITIO MOLECULAR-DYNAMICS ; TOTAL-ENERGY CALCULATIONS ; ELECTRONIC-STRUCTURE ; SUPERCONDUCTING PROPERTIES ; INSULATOR-TRANSITION ; SUPEREXCHANGE ; EXCITATIONS ; PREDICTION ; PARAMETERS ; CRYSTAL |
| 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研究方向 | Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:000560064600002 |
| 出版者 | AMER PHYSICAL SOC |
| 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 |
| 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.Univ Warsaw, Ctr New Technol, PL-02089 Warsaw, Poland 3.Hong Kong Univ Sci & Technol, Dept Chem, Hong Kong, Peoples R China 4.Chinese Acad Sci, Anhui Prov Key Lab Condensed Matter Phys Extreme, High Magnet Field Lab, Hefei 230031, Peoples R China 5.Cardinal Stefan Wyszynski Univ Warsaw, Fac Math & Nat Sci, PL-01938 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). |
入库方式： OAI收割
来源：合肥物质科学研究院
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