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We investigate the role of long-range Coulomb interactions in $M$-valley moir\'es using the self-consistent Hartree-Fock approximation. This platform was recently proposed [Nature 643, 376 (2025) and arXiv:2411.18828 (2024)] as a new class…

Mesoscale and Nanoscale Physics · Physics 2025-09-24 Christophe De Beule , Liangtao Peng , E. J. Mele , Shaffique Adam

Monolayer films of transition metal dichalcogenides (in particular, MoS2, MoSe2, WS2, and WSe2) can be considered as ideal systems for the studies of high-temperature electron-hole liquids. The quasi-two-dimensional nature of electrons and…

Mesoscale and Nanoscale Physics · Physics 2020-05-12 P. L. Pekh , P. V. Ratnikov , A. P. Silin

For layered materials, the interlayer stacking is a critical degree of freedom tuning electronic properties, while its microscopic characterization faces great challenges. The transition-metal dichalcogenide 1T-TaS$_2$ represents a novel…

Materials Science · Physics 2025-08-01 Li Cheng , Linpeng Nie , Xuanyu Long , Li Liang , Dan Zhao , Jian Li , Zheng Liu , Tao Wu , Xianhui Chen , Xiaolong Zou

Monolayer Transition Metal Dichalcogenides (TMDCs) are promising candidates for quantum technologies, such as quantum dots, because they are truly two-dimensional semiconductors with a direct band gap. In this work, we analyse theoretically…

Mesoscale and Nanoscale Physics · Physics 2018-02-28 Alessandro David , Guido Burkard , Andor Kormányos

Van der Waals materials enable the construction of atomically sharp interfaces between compounds with distinct crystal and electronic properties. This is dramatically exploited in moir\'e systems, where a lattice mismatch or twist between…

Transition metal dichalcogenides (TMDs) host multiple competing structural and electronic phases, making them an ideal platform for constructing polytype heterostructures with emergent quantum properties. However, controlling phase…

Materials Science · Physics 2025-12-03 Yanyan Geng , Manyu Wang , Shumin Meng , Shuo Mi , Chang Li , Huiji Hu , Jianfeng Guo , Rui Xu , Fei Pang , Wei Ji , Weichang Zhou , Zhihai Cheng

Forcing systems though fast non-equilibrium phase transitions offers the opportunity to study new states of quantum matter that self-assemble in their wake. Here we study the quantum interference effects of correlated electrons confined in…

Moir\'e transition metal dichalcogenide (TMD) systems provide a tunable platform for studying electron-correlation driven quantum phases. Such phases have so far been found at rational fillings of the moir\'e superlattice, and it is…

Single- and few-layer transition metal dichalcogenides have recently emerged as a new family of layered crystals with great interest, not only from the fundamental point of view, but also because of their potential application in ultrathin…

Materials Science · Physics 2014-10-14 R. Roldán , J. A. Silva-Guillén , M. P. López-Sancho , F. Guinea , E. Cappelluti , P. Ordejón

Materials exhibiting multiple stable phases can be used as functional components in electronic and optical applications if the phase transition is controllable. Group-VI transition metal dichalcogenides (TMDs, MX$_2$, where M=Mo, W and X =…

Materials Science · Physics 2019-08-21 Urvesh Patil , Nuala M. Caffrey

We present a model of the electronic properties of monolayer transition-metal dichalcogenides based on a tight binding approach which includes the effects of strain and curvature of the crystal lattice. Mechanical deformations of the…

Mesoscale and Nanoscale Physics · Physics 2016-10-14 Alexander J. Pearce , Eros Mariani , Guido Burkard

Monolayer group-V transition metal dichalcogenides in their 1T phase have recently emerged as a platform to investigate rich phases of matter, such as spin liquid and ferromagnetism, resulting from strong electron correlations. Although 1T…

Strongly Correlated Electrons · Physics 2021-11-23 Mengke Liu , Joshua Leveillee , Shuangzan Lu , Jia Yu , Hyunsue Kim , Keji Lai , Chendong Zhang , Feliciano Giustino , Chih-Kang Shih

Monolayer transition metal dichalcogenides in the distorted octahedral 1T$^\prime$ phase exhibit a large bulk bandgap and gapless boundary states, which is an asset in the ongoing quest for topological electronics. In single-layer tungsten…

Mesoscale and Nanoscale Physics · Physics 2021-06-24 G. Tkachov

Coupling together distinct correlated and topologically non-trivial electronic phases of matter can potentially induce novel electronic orders and phase transitions among them. Transition metal dichalcogenide compounds serve as a bedrock…

The state-of-the-art defect engineering techniques have paved the way to realize novel quantum phases out of pristine materials. Here, through density-functional calculations and model studies, we show that the chain-doped monolayer…

Strongly Correlated Electrons · Physics 2023-04-10 Mayank Gupta , Amit Chauhan , S. Satpathy , B. R. K. Nanda

A detailed first-principle study has been performed to evaluate the electronic and optical properties of single-layer (SL) transition metal dichalcogenides (TMDCs) (MX${}_2$; M= transition metal such as Mo, W and X= S, Se, Te), in the…

Mesoscale and Nanoscale Physics · Physics 2017-07-05 M. A. Khan , Mikhail Erementchouk , Joshua Hendrickson , Michael N. Leuenberger

Recently, new states of matter like superconducting or topological quantum states were found in transition metal dichalcogenides (TMDs) and manifested themselves in a series of exotic physical behaviors. Such phenomena have been…

Twisted bilayers of two-dimensional materials, such as twisted bilayer graphene, often feature flat electronic bands that enable the observation of electron correlation effects. In this work, we study the electronic structure of twisted…

Materials Science · Physics 2021-05-18 Valerio Vitale , Kemal Atalar , Arash A. Mostofi , Johannes Lischner

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

Monolayer transition metal dichalcogenides (TMDs) offer a novel two-dimensional platform for semiconductor devices. One such application, whereby the added low dimensional crystal physics (i.e. optical spin selection rules) may prove TMDs a…

Mesoscale and Nanoscale Physics · Physics 2020-02-05 Matthew Brooks , Guido Burkard