Trigonal Symmetry Breaking and its Electronic Effects in Two-Dimensional Dihalides and Trihalides
Alexandru B. Georgescu,
Andrew J. Millis,
James M. Rondinelli
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 MX2 dihalides and MX3 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 e… Show more
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