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Two-dimensional transition metal dichalcogenides (TMDs) usually exist in two or more structural phases with different physical properties, and can be repeatedly switched between these phases via different stimuli, making them potentially…

Materials Science · Physics 2020-04-29 Priyanka Manchanda , Pankaj Kumar , Pratibha Dev

The ability to control the properties of twisted bilayer transition metal dichalcogenides in situ makes them an ideal platform for investigating the interplay of strong correlations and geometric frustration. Of particular interest are the…

Two-dimensional (2D) materials have attracted significant interest due to their tunable physical properties when stacked into homo- and hetero-structures. Twisting adjacent layers introduces moir\'{e} patterns that strongly influence the…

We carry out a systematic study of the thermal conductivity of four single-layer transition metal dichalcogenides, MX$_2$ (M = Mo, W; X = S, Se) from first-principles by solving the Boltzmann Transport Equation (BTE). We compare three…

Materials Science · Physics 2019-03-29 Pol Torres , Francesc Xavier Alvarez , Xavier Cartoixà , Riccardo Rurali

Van der Waals heterostructures have recently emerged as an exciting platform for investigating the effects of strong electronic correlations, including various forms of magnetic or electrical orders. Here, we perform an unbiased exact…

Strongly Correlated Electrons · Physics 2024-07-15 Ahmed Abouelkomsan , Emil J. Bergholtz , Shubhayu Chatterjee

The predicted formation of moire superlattices leading to confined excitonic states in heterostructures formed by stacking two lattice mismatched transition metal dichalcogenide (TMD) monolayers was recently experimentally confirmed. Such…

The broad tunability of the proximity exchange effect between transition-metal dichalcogenides (TMDCs) and chromium iodide (CrI$_3$) heterostructures offers intriguing possibilities for the use of TMDCs in two-dimensional magnetoelectrics.…

Superconductivity · Physics 2022-07-11 Leyla Majidi , Reza Asgari

Van der Waals heterostructures based on TMDC semiconducting materials have emerged as promising materials due to their spin-valley properties efficiently contrived by the stacking-twist angle. The twist angle drastically alters the…

It has recently been demonstrated that MoS2 with irregular interlayer rotations can achieve an extreme anisotropy in the lattice thermal conductivity (LTC), which is for example of interest for applications in waste heat management in…

Materials Science · Physics 2024-03-22 Fredrik Eriksson , Erik Fransson , Christopher Linderälv , Zheyong Fan , Paul Erhart

To realize the applicative potential of 2D twistronic devices, scalable synthesis and assembly techniques need to meet stringent requirements in terms of interface cleanness and twist-angle homogeneity. Here, we show that small-angle…

We present a comprehensive first-principles study of the structural and elastic properties of 2H-MX$_2$ transition metal dichalcogenides (TMDs) (M = W, Mo, Ta, Nb; X = S, Se). Using density functional theory with various van der Waals…

Materials Science · Physics 2025-05-12 S. Azadi , A. Azhar , R. V. Belosludov , T. D. Kühne , M. S. Bahramy

We investigate a simplified continuum model of a twisted homotrilayer TMD with negligible next-nearest layer couplings. We systematically analyze band structure and topology of various stacking configurations in a twist angle range from…

Mesoscale and Nanoscale Physics · Physics 2023-10-10 Hassan AlBuhairan , Michael Vogl

Experimental demonstrations of tunable correlation effects in magic-angle twisted bilayer graphene have put two-dimensional moir\'e quantum materials at the forefront of condensed-matter research. Other twisted few-layer graphitic…

Strongly Correlated Electrons · Physics 2021-08-27 Michael M. Scherer , Dante M. Kennes , Laura Classen

We study in-plane lateral heterostructures of commensurate transition-metal dichalcogenides, such as MoS$_{2}$-WS$_{2}$ and MoSe$_{2}$-WSe$_{2}$, and find interfacial and edge states that are highly localized to these regions of the…

Mesoscale and Nanoscale Physics · Physics 2019-01-04 Oscar Ávalos-Ovando , Diego Mastrogiuseppe , Sergio E. Ulloa

We study possible superconducting states in transition metal dichalcogenide (TMD) monolayers, assuming an on-site pairing potential that includes both intra- and inter-orbital terms. We find that if the mirror symmetry with respect to the…

Superconductivity · Physics 2021-09-24 Gilad Margalit , Erez Berg , Yuval Oreg

Layers of two-dimensional materials stacked with a small twist-angle give rise to beating periodic patterns on a scale much larger than the original lattice, referred to as a moir\'e superlattice. When the stacking involves more than two…

Mesoscale and Nanoscale Physics · Physics 2020-12-03 Kan-Ting Tsai , Xi Zhang , Ziyan Zhu , Yujie Luo , Stephen Carr , Mitchell Luskin , Efthimios Kaxiras , Ke Wang

Transition metal dichalcogenides are investigated for various applications at the nanoscale thanks to their unique combination of properties and dimensionality. For many of the anticipated applications, heat conduction plays an important…

Materials Science · Physics 2024-03-22 Srinivisan Mahendran , Jesús Carrete , Andreas Isacsson , Georg K. H. Madsen , Paul Erhart

Stacking monolayers of transition metal dichalcogenides into a heterostructure with a finite twist-angle gives rise to artificial moir\'e superlattices with a tunable periodicity. As a consequence, excitons experience a periodic potential,…

Mesoscale and Nanoscale Physics · Physics 2020-12-30 Samuel Brem , Christopher Linderälv , Paul Erhart , Ermin Malic

Probing the ideal limit of interfacial thermal conductance (ITC) in two-dimensional (2D) heterointerfaces is of paramount importance for assessing heat dissipation in 2D-based nanoelectronics. Using graphene/hexagonal boron nitride…

We present a systematic theoretical study on the structural and electronic properties of twisted trilayer transition metal dichalcogenide (TMD) WSe$_2$, where two independent moir\'e patterns form between adjacent layers. Using a continuum…

Mesoscale and Nanoscale Physics · Physics 2025-12-19 Naoto Nakatsuji , Takuto Kawakami , Hayato Tateishi , Koichiro Kato , Mikito Koshino