{"title":"Rashba splitting in polar-nonpolar sandwich heterostructure: a DFT study.","authors":"Sanchari Bhattacharya, Sanjoy Datta","doi":"10.1088/1361-648X/ad5d42","DOIUrl":null,"url":null,"abstract":"<p><p>In this study, we employ density functional theory based first-principles calculations to investigate the spin-orbit effects in the electronic structure of a polar-nonpolar sandwich heterostructure namelyLaAlO3/SrTiO3/LaAlO3. Our focus on theTi-3dbands reveals an inverted ordering of theSrTiO3-t2gorbital near the n-type interface, which is consistent with earlier experimental work. In contrast, toward the p-type interface, the orbital ordering aligns with the natural ordering ofSrTiO3orbitals, influenced by crystal field splitting. In the presence of SOC, a notable inter-orbital coupling betweent2gandegorbitals is observed within the tetragonal slab, a phenomenon not reported before in theSrTiO3-based 2D systems. Additionally, our observations highlight that the cubic Rashba splitting in this system surpasses the linear Rashba splitting, contrary to experimental findings. This comprehensive analysis contributes to a refined understanding of the role of orbital mixing in Rashba splitting in the sandwich oxide heterostructures.</p>","PeriodicalId":16776,"journal":{"name":"Journal of Physics: Condensed Matter","volume":null,"pages":null},"PeriodicalIF":2.3000,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Physics: Condensed Matter","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1088/1361-648X/ad5d42","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, CONDENSED MATTER","Score":null,"Total":0}
引用次数: 0
Abstract
In this study, we employ density functional theory based first-principles calculations to investigate the spin-orbit effects in the electronic structure of a polar-nonpolar sandwich heterostructure namelyLaAlO3/SrTiO3/LaAlO3. Our focus on theTi-3dbands reveals an inverted ordering of theSrTiO3-t2gorbital near the n-type interface, which is consistent with earlier experimental work. In contrast, toward the p-type interface, the orbital ordering aligns with the natural ordering ofSrTiO3orbitals, influenced by crystal field splitting. In the presence of SOC, a notable inter-orbital coupling betweent2gandegorbitals is observed within the tetragonal slab, a phenomenon not reported before in theSrTiO3-based 2D systems. Additionally, our observations highlight that the cubic Rashba splitting in this system surpasses the linear Rashba splitting, contrary to experimental findings. This comprehensive analysis contributes to a refined understanding of the role of orbital mixing in Rashba splitting in the sandwich oxide heterostructures.
期刊介绍:
Journal of Physics: Condensed Matter covers the whole of condensed matter physics including soft condensed matter and nanostructures. Papers may report experimental, theoretical and simulation studies. Note that papers must contain fundamental condensed matter science: papers reporting methods of materials preparation or properties of materials without novel condensed matter content will not be accepted.