Band theoretical approaches to topological physics in strongly-correlated f-electron Kondo systems. (6th July 2022)

• Record Type: Journal Article
• Authors: Kang, Chang-Jong; Kim, Kyoo; Min, B I
• Is Part Of: Journal of physics. Volume 34:Number 27(2022)
• Publication Date: 2022-07-06
• Subjects: band structure -- topological Kondo insulator -- strongly-correlated f-electron system -- dynamical mean-field theory -- density functional theory; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/1361-648X/ac4e47
• Languages: English
• ISSNs: 0953-8984

Abstract

Abstract: First-principles band structure theory on the basis of the density functional theory (DFT) plays an essential role in the investigation of topological properties of weakly-correlated systems. DFT band structures show clear bulk band crossings for Weyl and Dirac semimetals, and surface band crossings for topological insulators and topological-crystalline insulators. In contrast, for strongly-correlated f -electron systems, their topological properties are relatively less explored because the simple DFT does not work properly in describing the electronic structures of strongly-correlated f electrons. In this perspective, we examine the band theoretical approaches to topological properties of strongly-correlated f -electron Kondo systems. We recapitulate current status of understanding of electronic structures and topological properties of strongly-correlated 4 f -electron systems, such as Ce, SmB6, and g-SmS, and also a 5 f -electron system PuB4, the electronic structures of which were investigated by the DFT combined with the dynamical mean-field theory (DFT + DMFT). Finally, we provide future directions and perspectives of improving theoretical band approaches to search for new topological f -electron systems, as an outlook.