433 citations · 1.6k across the 15 of their papers we have counts for
15 papers
Excitonic and magnetic phases in doped WTe monolayers: a Hartree-Fock approach
Guillermo Parra-Martínez, Daniel Muñoz-Segovia, Héctor Ochoa +1
Transport and local spectroscopy measurements have revealed that monolayers of tungsten ditelluride (-WTe) display a quantum spin Hall effect and an excitonic gap at neutr…
Band Renormalization, Quarter Metals, and Chiral Superconductivity in Rhombohedral Tetralayer Graphene
Guillermo Parra-Martinez, Alejandro Jimeno-Pozo, Vo Tien Phong +7
Recently, exotic superconductivity emerging from a spin-and-valley-polarized metallic phase has been discovered in rhombohedral tetralayer graphene. To explain this observation, we…
Electronic Structure and Kohn-Luttinger Superconductivity of Heavily-Doped Single-Layer Graphene
Saul Herrera, Guillermo Parra-Martinez, Philipp Rosenzweig +8
The existence of superconductivity (SC) in graphene appears to be established in both twisted and non-twisted multilayers. However, whether their building block, single-layer graph…
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…
Tuning band gaps in twisted bilayer MoS
Yipei Zhang, Zhen Zhan, Francisco Guinea +2
In the emerging world of twisted bilayer structures, the possible configurations are limitless, which enables for a rich landscape of electronic properties. In this paper, we focus…
Multi-ultraflatbands tunability and effect of spin-orbit coupling in twisted bilayer transition metal dichalcogenides
Zhen Zhan, Yipei Zhang, Pengfei Lv +5
Ultraflatbands that have been theoretically and experimentally detected in a bunch of van der Waals stacked materials showing some peculiar properties, for instance, highly localiz…
Large-area, periodic, and tunable intrinsic pseudo-magnetic fields in low-angle twisted bilayer graphene
Haohao Shi, Zhen Zhan, Zhikai Qi +11
A properly strained graphene monolayer or bilayer is expected to harbour periodic pseudo-magnetic fields with high symmetry, yet to date, a convincing demonstration of such pseudo-…
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…
Theory of 2D crystals: graphene and beyond
Rafael Roldán, Luca Chirolli, Elsa Prada +3
This tutorial review presents an overview of the basic theoretical aspects of two-dimensional (2D) crystals. We revise essential aspects of graphene and the new families of semicon…
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…
Enhanced superconductivity in atomically thin TaS2
Efrén Navarro-Moratalla, Joshua O. Island, Samuel Mañas-Valero +11
The ability to exfoliate layered materials down to the single layer limit has opened the opportunity to understand how a gradual reduction in dimensionality affects the properties…
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…
Momentum dependence of spin-orbit interaction effects in single-layer and multi-layer transition metal dichalcogenides
R. Roldán, M. P. López-Sancho, E. Cappelluti +3
One of the main characteristics of the new family of two-dimensional crystals of semiconducting transition metal dichalcogenides (TMD) is the strong spin-orbit interaction, which m…
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…