We develop a minimal theory for the recently observed metal-insulator transition (MIT) in two-dimensional (2D) moir\'e multilayer metal dichalcogenides (mTMD) using Coulomb disorder environment as underlying mechanism. In particular, carrier scattering by random charged impurities leads to an effective 2D MIT approximately controlled Ioffe-Regel criterion, which is qualitatively consistent with...

Transition metal dichalcogenides (TMDs) attract significant attention due to their exceptional optical, excitonic, mechanical, and electronic properties. Nanostructured multilayer TMDs were recently shown be highly promising for nanophotonic applications, as motivated by exceptionally high refractive indices optical anisotropy. Here, this vision is extended more sophisticated structures, such p...

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In this letter we study the valley degeneracy splitting of the transition-metal dichalcogenide monolayer by first-principles calculations. The local magnetic moments are introduced into the system when the transition-metal atoms are adsorbed on the monolayer surface. The Zeeman effect arising from the local magnetic moment at transition-metal atom sites lifts the valley degeneracy. Anomalous ch...

Layered transition-metal dichalcogenides have extraordinary electronic properties, which can be easily modified by various means. Here, we have investigated how the stability and electronic structure of MoS2 monolayers is influenced by alloying, i.e., by substitution of the transition metal Mo by W and Nb and of the chalcogen S by Se. While W and Se incorporate into the MoS2 matrix homogeneousl...

The valley degree of freedom in layered transition-metal dichalcogenides provides an opportunity to extend the functionalities of spintronics and valleytronics devices. The achievement of spin-coupled valley polarization induced by the non-equilibrium charge-carrier imbalance between two degenerate and inequivalent valleys has been demonstrated theoretically and by optical experiments. However,...

Monolayers of transition metal dichalcogenides can exist in several structural polymorphs, including 2H, 1T and 1T'. The low-symmetry 1T' phase has three orientation variants, resulting from the three equivalent directions of Peierls distortion in the parental 1T phase. Using first-principles calculations, we predict that mechanical strain can switch the relative thermodynamic stability between...