130 citations · 299 across the 8 of their papers we have counts for
8 papers
Comment on "Identification of the Mott Insulating Charge Density Wave State in -TaS"
Diego Pasquier
The applicability of DFT+ to the star-of-David phase of -TaS is examined. The viability of a Mott phase as a ground state for the bulk of this material is briefly discus…
Mott versus hybridization gap in the low-temperature phase of -TaS
Francesco Petocchi, Christopher W. Nicholson, Bjoern Salzmann +4
We compute the correlated electronic structure of stacked -TaS bilayers using the + EDMFT method. Depending on the surface termination, the semi-infinite uncorrelated…
theory of magnetism in two-dimensional -TaS
Diego Pasquier, Oleg V. Yazyev
We investigate, using a first-principles density-functional methodology, the nature of magnetism in monolayer -phase of tantalum disulfide (-TaS ). Magnetism in the ins…
A Unified Picture of Lattice Instabilities in Metallic Transition Metal Dichalcogenides
Diego Pasquier, Oleg V. Yazyev
Transition metal dichalcogenides (TMDs) in the polymorph are subject to a rich variety of periodic lattice distortions, often referred to as charge density waves (CDW) when no…
Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table
Diego Pasquier, Oleg V. Yazyev
Two-dimensional transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as and , depending on the coordination sphere of the transition metal atom. Th…
Excitonic effects in two-dimensional TiSe from hybrid density functional theory
Diego Pasquier, Oleg V. Yazyev
Transition metal dichalcogenides (TMDs), whether in bulk or in monolayer form, exhibit a rich variety of charge-density-wave (CDW) phases and stronger periodic lattice distortions.…
Charge-density-wave phase, mottness and ferromagnetism in monolayer -NbSe
Diego Pasquier, Oleg V. Yazyev
The recently investigated -polymorph of monolayer NbSe revealed an insulating behaviour suggesting a star-of-David phase with periodicity assoc…
Disorder engineering and conductivity dome in ReS2 with electrolyte gating
Dmitry Ovchinnikov, Fernando Gargiulo, Adrien Allain +5
Atomically thin rhenium disulphide (ReS2) is a member of the transition metal dichalcogenide (TMDC) family of materials characterized by weak interlayer coupling and a distorted 1T…