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20 papers
How Substitutional Point Defects in Two-Dimensional WS Induce Charge Localization, Spin-Orbit Splitting, and Strain
Bruno Schuler, Jun-Ho Lee, Christoph Kastl +13
Control of impurity concentrations in semiconducting materials is essential to device technology. Because of their intrinsic confinement, the properties of two-dimensional semicond…
Piezoelectricity in monolayer hexagonal boron nitride
P. Ares, T. Cea, M. Holwill +7
Two-dimensional (2D) hexagonal boron nitride (hBN) is a wide-bandgap van der Waals crystal with a unique combination of properties, including exceptional strength, large oxidation…
Electronic structure of monolayer antimonene nanoribbons under out-of-plane and transverse bias
Edo van Veen, Jin Yu, Mikhail I. Katsnelson +2
A systematic study of the electronic properties of single layer Sb (antimonene) nanoribbons is presented. By using a 6-orbital tight-binding Hamiltonian, we study the electronic ba…
Piezoelectricity and valley Chern number in inhomogeneous hexagonal 2D crystals
Habib Rostami, Francisco Guinea, Marco Polini +1
Conversion of mechanical forces to electric signal is possible in non-centrosymmetric materials due to linear piezoelectricity. The extraordinary mechanical properties of two-dimen…
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…