{"title":"Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain","article_type":"original","publication":"npj Quantum Materials","doi":"10.1038/s41535-022-00496-w","user_id":"4359f0d1-fa6c-11eb-b949-802e58b17ae8","external_id":{"isi":["000852381200003"]},"quality_controlled":"1","article_number":"90","_id":"12213","oa":1,"keyword":["Condensed Matter Physics","Electronic","Optical and Magnetic Materials"],"related_material":{"link":[{"relation":"erratum","url":"https://doi.org/10.1038/s41535-022-00510-1"}]},"publication_identifier":{"eissn":["2397-4648"]},"project":[{"call_identifier":"H2020","name":"ISTplus - Postdoctoral Fellowships","_id":"260C2330-B435-11E9-9278-68D0E5697425","grant_number":"754411"}],"language":[{"iso":"eng"}],"month":"09","publication_status":"published","tmp":{"short":"CC BY (4.0)","legal_code_url":"https://creativecommons.org/licenses/by/4.0/legalcode","image":"/images/cc_by.png","name":"Creative Commons Attribution 4.0 International Public License (CC-BY 4.0)"},"abstract":[{"lang":"eng","text":"Motivated by properties-controlling potential of the strain, we investigate strain dependence of structure, electronic, and magnetic properties of Sr2IrO4 using complementary theoretical tools: ab-initio calculations, analytical approaches (rigid octahedra picture, Slater-Koster integrals), and extended t−J model. We find that strain affects both Ir-Ir distance and Ir-O-Ir angle, and the rigid octahedra picture is not relevant. Second, we find fundamentally different behavior for compressive and tensile strain. One remarkable feature is the formation of two subsets of bond- and orbital-dependent carriers, a compass-like model, under compression. This originates from the strain-induced renormalization of the Ir-O-Ir superexchange and O on-site energy. We also show that under compressive (tensile) strain, Fermi surface becomes highly dispersive (relatively flat). Already at a tensile strain of 1.5%, we observe spectral weight redistribution, with the low-energy band acquiring almost purely singlet character. These results can be directly compared with future experiments."}],"date_published":"2022-09-10T00:00:00Z","scopus_import":"1","acknowledgement":"E.M.P. thanks Eugenio Paris, Thorsten Schmitt, Krzysztof Wohlfeld, and other coauthors for an inspiring previous collaboration23, and is grateful to Gang Cao, Ambrose Seo, and Jungho Kim for insightful discussions. R.R. acknowledges helpful discussion with Sanjeev Kumar and Manuel Richter. This project has received funding from the European Union’s Horizon 2020 research and innovation program under the Marie Sklodowska-Curie grant agreement No 754411. C.C.C. acknowledges support from the U.S. National Science Foundation Award No. DMR-2142801.","intvolume":"         7","file_date_updated":"2023-01-27T07:59:27Z","volume":7,"day":"10","oa_version":"Published Version","file":[{"creator":"dernst","date_created":"2023-01-27T07:59:27Z","file_name":"2022_NPJ_Paerschke.pdf","file_id":"12414","date_updated":"2023-01-27T07:59:27Z","access_level":"open_access","success":1,"file_size":1852598,"content_type":"application/pdf","relation":"main_file","checksum":"d93b477b5b95c0d1b8f9fef90a81f565"}],"publisher":"Springer Nature","ddc":["530"],"date_updated":"2023-08-04T09:23:43Z","type":"journal_article","citation":{"chicago":"Paerschke, Ekaterina, Wei-Chih Chen, Rajyavardhan Ray, and Cheng-Chien Chen. “Evolution of Electronic and Magnetic Properties of Sr₂IrO₄ under Strain.” <i>Npj Quantum Materials</i>. Springer Nature, 2022. <a href=\"https://doi.org/10.1038/s41535-022-00496-w\">https://doi.org/10.1038/s41535-022-00496-w</a>.","ista":"Paerschke E, Chen W-C, Ray R, Chen C-C. 2022. Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain. npj Quantum Materials. 7, 90.","apa":"Paerschke, E., Chen, W.-C., Ray, R., &#38; Chen, C.-C. (2022). Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain. <i>Npj Quantum Materials</i>. Springer Nature. <a href=\"https://doi.org/10.1038/s41535-022-00496-w\">https://doi.org/10.1038/s41535-022-00496-w</a>","short":"E. Paerschke, W.-C. Chen, R. Ray, C.-C. Chen, Npj Quantum Materials 7 (2022).","ama":"Paerschke E, Chen W-C, Ray R, Chen C-C. Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain. <i>npj Quantum Materials</i>. 2022;7. doi:<a href=\"https://doi.org/10.1038/s41535-022-00496-w\">10.1038/s41535-022-00496-w</a>","ieee":"E. Paerschke, W.-C. Chen, R. Ray, and C.-C. Chen, “Evolution of electronic and magnetic properties of Sr₂IrO₄ under strain,” <i>npj Quantum Materials</i>, vol. 7. Springer Nature, 2022.","mla":"Paerschke, Ekaterina, et al. “Evolution of Electronic and Magnetic Properties of Sr₂IrO₄ under Strain.” <i>Npj Quantum Materials</i>, vol. 7, 90, Springer Nature, 2022, doi:<a href=\"https://doi.org/10.1038/s41535-022-00496-w\">10.1038/s41535-022-00496-w</a>."},"year":"2022","date_created":"2023-01-16T09:46:01Z","article_processing_charge":"No","isi":1,"has_accepted_license":"1","status":"public","department":[{"_id":"MiLe"}],"ec_funded":1,"author":[{"first_name":"Ekaterina","last_name":"Paerschke","id":"8275014E-6063-11E9-9B7F-6338E6697425","full_name":"Paerschke, Ekaterina","orcid":"0000-0003-0853-8182"},{"first_name":"Wei-Chih","full_name":"Chen, Wei-Chih","last_name":"Chen"},{"first_name":"Rajyavardhan","last_name":"Ray","full_name":"Ray, Rajyavardhan"},{"full_name":"Chen, Cheng-Chien","last_name":"Chen","first_name":"Cheng-Chien"}]}