Nano Research · 2019 · 79 citations · 32 references
Natural SciencesMaterials SciencePhysicsElectronic MaterialsMaterials ChemistryThin FilmsQuantum TunnelingSurface PhysicsThin-film MaterialsTwo-dimensional NanomaterialsTwo-dimensional SemiconductorsScanning Tunneling SpectroscopyTransition Metal DichalcogenidesTwo-dimensional Materials
The isostructural and isoelectronic transition-metal-dichalcogenides 1T-TaS2 and 1T-TaSe2 are layered materials with intricate electronic structures. Combining the molecular beam epitaxy growth, scanning tunneling microscopy measurements and first-principles calculations, we prepare monolayer 1T-TaS2 and TaSe2 and explore their electronic structures at the atomic scale. Both two-dimensional (2D) compounds exhibit commensurate charge density wave phase at low temperature. The conductance mapping identifies the contributions from different Ta atoms to the local density of states with spatial and energy resolution. Both 1T-TaS2 and 1T-TaSe2 monolayer are shown to be insulators, while the former has a Mott gap and the latter is a regular band insulator.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
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