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Vanadium Diselenide: On The Verge Of Charge Density Wave, Menghan Zhou

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Charge density wave (CDW) is a many-body state of matter in which both lattice and electron density are modulated by a new periodicity. CDW features discrete translational symmetry breaking, and mostly occurs in low-dimensional materials. Although CDW behaviors have been found in many materials, the underlying mechanism and the driving forces of CDW transition are still unclear. In particular, the origin of CDW in two-dimensional materials, especially in layered transition metal dicalchogenides (TMDCs), may be distinct from that in one-dimensional materials.

In this dissertation, the CDW transition in VSe2, a layered TMDC material, is explored. Density functional theory (DFT) calculations …