433 citations · 1.6k across the 15 of their papers we have counts for
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Metastable polymorphic phases in monolayer TaTe2
Iolanda Di Bernardo, Joan Ripoll-Sau, Fabian Calleja +6
Polymorphic phases and collective phenomena - such as charge density waves (CDWs) - in transition metal dichalcogenides (TMDs) dictate the physical and electronic properties of the…
Strain control of the competition between metallic and semiconducting states in single-layers of TaSe
Jose Angel Silva-Guillén, Enric Canadell
TaSe is a metallic layered material whose structure is built from TaSe trigonal prismatic chains. In this work we report a first-principles density functional theory study…
Anisotropic features in the electronic structure of the two-dimensional transition metal trichalcogenide TiS: electron doping and plasmons
J. A. Silva-Guillén, E. Canadell, P. Ordejón +2
Analysis of the band structure of TiS single-layers suggests the possibility of changing their physical behaviour by injecting electron carriers. The anisotropy of the valence…
Electronic Band Structure of Transition Metal Dichalcogenides from Ab Initio and Slater-Koster Tight-Binding Model
J. A. Silva-Guillén, P. San-Jose, R. Roldán
Semiconducting transition metal dichalcogenides present a complex electronic band structure with a rich orbital contribution to their valence and conduction bands. The possibility…
Electronic structure of -NbSe single-layers in the CDW state
J. A. Silva-Guillén, P. Ordejón, F. Guinea +1
A density functional theory study of NbSe single-layers in the normal non-modulated and the CDW states is reported. We show that, in the single layer, the CDW barely…
Tight-binding model and direct-gap/indirect-gap transition in single-layer and multi-layer MoS
E. Cappelluti, R. Roldán, J. A. Silva-Guillén +2
In this paper we present a paradigmatic tight-binding model for single-layer as well as for multi-layered semiconducting MoS and similar transition metal dichalcogenides. We sh…