Matches in SemOpenAlex for { <https://semopenalex.org/work/W3205078633> ?p ?o ?g. }
Showing items 1 to 64 of
64
with 100 items per page.
- W3205078633 abstract "We study the consequences of the approximately trigonal ($D_{3d}$) point symmetry of the transition metal (M) site in two-dimensional van der Waals MX$_2$ dihalides and MX$_3$ trihalides. The trigonal symmetry leads to a 2-2-1 orbital splitting of the transition metal $d$ shell, which may be tuned by the interlayer distance, and changes in the ligand-ligand bond lengths. Orbital order coupled to various lower symmetry lattice modes may lift the remaining orbital degeneracies, and we explain how these may support unique electronic states using ZrI$_2$ and CuCl$_2$ as examples, and offer a brief overview of possible electronic configurations in this class of materials. By building and analysing Wannier models adapted to the appropriate symmetry we examine how the interplay among trigonal symmetry, electronic correlation effects, and $p$-$d$ orbital charge transfer leads to insulating, orbitally polarized magnetic and/or orbital-selective Mott states. Our work establishes a rigorous framework to understand, control, and tune the electronic states in low-dimensional correlated halides. Our analysis shows that trigonal symmetry and its breaking is a key feature of the 2D halides that needs to be accounted for in search of novel electronic states in materials ranging from CrI$_3$ to $alpha$-RuCl$_3$." @default.
- W3205078633 created "2021-10-25" @default.
- W3205078633 creator A5007838414 @default.
- W3205078633 creator A5034448669 @default.
- W3205078633 creator A5080605975 @default.
- W3205078633 date "2021-10-09" @default.
- W3205078633 modified "2023-09-27" @default.
- W3205078633 title "Trigonal Symmetry Breaking and its Electronic Effects in Two-Dimensional Dihalides and Trihalides" @default.
- W3205078633 cites W2141564450 @default.
- W3205078633 hasPublicationYear "2021" @default.
- W3205078633 type Work @default.
- W3205078633 sameAs 3205078633 @default.
- W3205078633 citedByCount "0" @default.
- W3205078633 crossrefType "posted-content" @default.
- W3205078633 hasAuthorship W3205078633A5007838414 @default.
- W3205078633 hasAuthorship W3205078633A5034448669 @default.
- W3205078633 hasAuthorship W3205078633A5080605975 @default.
- W3205078633 hasConcept C115624301 @default.
- W3205078633 hasConcept C121332964 @default.
- W3205078633 hasConcept C184779094 @default.
- W3205078633 hasConcept C185592680 @default.
- W3205078633 hasConcept C194185919 @default.
- W3205078633 hasConcept C204795200 @default.
- W3205078633 hasConcept C26873012 @default.
- W3205078633 hasConcept C37649677 @default.
- W3205078633 hasConcept C62520636 @default.
- W3205078633 hasConcept C8010536 @default.
- W3205078633 hasConceptScore W3205078633C115624301 @default.
- W3205078633 hasConceptScore W3205078633C121332964 @default.
- W3205078633 hasConceptScore W3205078633C184779094 @default.
- W3205078633 hasConceptScore W3205078633C185592680 @default.
- W3205078633 hasConceptScore W3205078633C194185919 @default.
- W3205078633 hasConceptScore W3205078633C204795200 @default.
- W3205078633 hasConceptScore W3205078633C26873012 @default.
- W3205078633 hasConceptScore W3205078633C37649677 @default.
- W3205078633 hasConceptScore W3205078633C62520636 @default.
- W3205078633 hasConceptScore W3205078633C8010536 @default.
- W3205078633 hasLocation W32050786331 @default.
- W3205078633 hasOpenAccess W3205078633 @default.
- W3205078633 hasPrimaryLocation W32050786331 @default.
- W3205078633 hasRelatedWork W1547531428 @default.
- W3205078633 hasRelatedWork W1613317685 @default.
- W3205078633 hasRelatedWork W1967050756 @default.
- W3205078633 hasRelatedWork W1968914376 @default.
- W3205078633 hasRelatedWork W1985014914 @default.
- W3205078633 hasRelatedWork W1988163314 @default.
- W3205078633 hasRelatedWork W1994093077 @default.
- W3205078633 hasRelatedWork W2002023988 @default.
- W3205078633 hasRelatedWork W2004534767 @default.
- W3205078633 hasRelatedWork W2021393634 @default.
- W3205078633 hasRelatedWork W2054966812 @default.
- W3205078633 hasRelatedWork W2068088050 @default.
- W3205078633 hasRelatedWork W2088393580 @default.
- W3205078633 hasRelatedWork W2894944665 @default.
- W3205078633 hasRelatedWork W2921892516 @default.
- W3205078633 hasRelatedWork W292938953 @default.
- W3205078633 hasRelatedWork W3101853498 @default.
- W3205078633 hasRelatedWork W3104654446 @default.
- W3205078633 hasRelatedWork W3105889115 @default.
- W3205078633 hasRelatedWork W3148776076 @default.
- W3205078633 isParatext "false" @default.
- W3205078633 isRetracted "false" @default.
- W3205078633 magId "3205078633" @default.
- W3205078633 workType "article" @default.